There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.
Type | HazMat fee for 500 gram (Estimated) |
Excepted Quantity | USD 0.00 |
Limited Quantity | USD 15-60 |
Inaccessible (Haz class 6.1), Domestic | USD 80+ |
Inaccessible (Haz class 6.1), International | USD 150+ |
Accessible (Haz class 3, 4, 5 or 8), Domestic | USD 100+ |
Accessible (Haz class 3, 4, 5 or 8), International | USD 200+ |
Purity | Size | Price | VIP Price | USA Stock *0-1 Day | Global Stock *5-7 Days | Quantity | |||||
{[ item.p_purity ]} | {[ item.pr_size ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} |
{[ getRatePrice(item.pr_usd, 1,1) ]} | Inquiry {[ getRatePrice(item.pr_usd,item.pr_rate,item.mem_rate) ]} {[ getRatePrice(item.pr_usd,1,item.mem_rate) ]} | {[ item.pr_usastock ]} | Inquiry - | {[ item.pr_chinastock ]} | Inquiry - |
* Storage: {[proInfo.prStorage]}
CAS No. : | 608-36-6 | MDL No. : | MFCD00066439 |
Formula : | C4H4Br2O4 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | FJWGRXKOBIVTFA-XIXRPRMCSA-N |
M.W : | 275.88 | Pubchem ID : | 641611 |
Synonyms : |
|
Num. heavy atoms : | 10 |
Num. arom. heavy atoms : | 0 |
Fraction Csp3 : | 0.5 |
Num. rotatable bonds : | 3 |
Num. H-bond acceptors : | 4.0 |
Num. H-bond donors : | 2.0 |
Molar Refractivity : | 40.63 |
TPSA : | 74.6 Ų |
GI absorption : | High |
BBB permeant : | No |
P-gp substrate : | No |
CYP1A2 inhibitor : | No |
CYP2C19 inhibitor : | No |
CYP2C9 inhibitor : | No |
CYP2D6 inhibitor : | No |
CYP3A4 inhibitor : | No |
Log Kp (skin permeation) : | -7.27 cm/s |
Log Po/w (iLOGP) : | 0.43 |
Log Po/w (XLOGP3) : | 1.0 |
Log Po/w (WLOGP) : | 0.68 |
Log Po/w (MLOGP) : | 0.6 |
Log Po/w (SILICOS-IT) : | 0.43 |
Consensus Log Po/w : | 0.63 |
Lipinski : | 0.0 |
Ghose : | None |
Veber : | 0.0 |
Egan : | 0.0 |
Muegge : | 1.0 |
Bioavailability Score : | 0.56 |
Log S (ESOL) : | -1.98 |
Solubility : | 2.87 mg/ml ; 0.0104 mol/l |
Class : | Very soluble |
Log S (Ali) : | -2.16 |
Solubility : | 1.93 mg/ml ; 0.00699 mol/l |
Class : | Soluble |
Log S (SILICOS-IT) : | -0.43 |
Solubility : | 103.0 mg/ml ; 0.373 mol/l |
Class : | Soluble |
PAINS : | 0.0 alert |
Brenk : | 1.0 alert |
Leadlikeness : | 0.0 |
Synthetic accessibility : | 2.92 |
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | 3261 |
Hazard Statements: | H314 | Packing Group: | Ⅱ |
GHS Pictogram: |
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With hydrogen bromide; bromine; In water; at 75℃; for 8.0h;Inert atmosphere; | At room temperature under an inert atmosphere (N2)17.5g, 151mmol fumaric acid was placed in a 250ml four-necked flask equipped with a thermometer, a dropping funnel, a condenser, and an overhead stirrer.3.1 ml, 23.5 mmol 40% HBr and 25 ml, 1.39 mol DIW were added to the flask.26.8g, 168mmol bromine (8.6ml) was added to the dropping funnel.The mixture in the flask was heated to 75 C.When this temperature is reached, bromine addition is started and the addition time is about 2 h.After the addition was completed, the mixture was kept at 75 C for another 6 hours.After the reaction, the mixture was cooled to room temperature and N2was introduceduntil the color of the mixture became white.Then prepare the DBS solution for the next step. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
84% | In ethanol; at 90℃; | To a solution of meso-2, 3-dibromosuccinic acid (50 g, 181 mmol) in EtOH (400 mL) was added benzylamine (150 mL) dropwise. After completion of addition, the mixture was heated to 90 and stirred overnight. The mixture was cooled to room temperature and diluted with H 2O. 6N HCl was added until pH 4 to give white precipitates. The precipitates were filtered, rinsed with H 2O and dried to give (2R, 3S) -2, 3-bis (benzylamino) succinic acid (50 g, 152 mmol, 84%) . |
4.43 g | In ethanol; at 20 - 100℃; for 6.0h;Inert atmosphere; | At 100 C under inert atmosphere (N2)20 ml, 0.34 mol of ethanol was added to the flask, and then the mixture was transferred to a 500 ml four-necked flask.Add 45 ml, 0.77 mol ethanol to wash the first flask (250 ml), and then transfer to the second flask (500 ml).The washing procedure was repeated a total of 3 times.85ml, 78mmol benzylamine (83.4g) was added dropwise and the internal temperature was controlled between 20-38 C.After the addition was complete, the mixture was heated to 83 C and held for 6 hours.The mixture was cooled to room temperature.(DBA w / w% = 14.97%) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 20℃; Intermediaer: neutrales Benzylaminsalz der Mesodibrombernsteinsaeure, das in Alkohol gibt; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
beim Erwaermen; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 20℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 60 - 70℃; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
at 90℃; Zersetzen des Reaktionsprodukts mit Wasser bei analoger Reaktion mit 2 Mol Brom; |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With thionyl chloride; | The general synthesis of this Janus dendrimer is based on a core structure described in Wiener's paper on metal directed self-assembly of ethylene-based dendrons [see V. V. Narayanan, E.C. Wiener, Macromolecules, 33, 3944-3946 (2000)]. The starting point in this synthesis is <strong>[608-36-6]meso-dibromosuccinic acid</strong> which is commercially available from Aldrich (No.608-36-6). The diacid is converted to an acid chloride with thionyl chloride. The diacid chloride is converted to the succinimide with Newkome-Behera branch cell reagent. This dibromide is reacted with 2 equivalents of 1-benzyl carboxylate-(2-aminoethyl)piperazine (according to the experimental described in this paper) that used benzyl amine, the second critical intermediate is formed. This reaction sequence can be reversed if there are problems with acid deprotecting the blocking group. The succinimide can be formed by simply heating the Behera amine and the diacid thus avoiding acid hydrolysis possible from thionyl chloride.The benzyloxycarbonyl blocking group is removed by a mild catalytic hydrogenation using Pd/carbon to give two piperazines. Piperazines are reacted with methylacrylate and excess ethylenediamine iteratively to form an amine or ester surface dendron. This reactive dendron is reacted with a chelate derivatized PAMAM dendron produced by the reduction of eystamine core PAMAM dendrimer and addition of an appropriate linker. This process gives amplification of the surface chelates as a multiple of the number of Janus dendron surface groups times the number of surface chelates on the eystamine core dendron.The eystamine core PAMAM dendrimer primary amine surface is reacted with chelate isothiocyanate. This chelate derivatized PAMAM dendrimer is then cleaved at the disulfide with DTT and resulting mercaptan dendron reacted with the Janus molecule. Steric congestion of the larger dendrons such as G = 2 or 3 may prevent full functionalization of all the Janus dendron surface groups. Heterobifunctional reagents that extend the mercaptan tail by 6 to 12 atoms can react with the sulfur end of the dendron leaving a reactive end of the reagent to link with the Janus dendrimer surface. 4-(4-N-MaleimidophenyI)butyric acid hydrazide is one such heterobifuntional cross-linking reagent that contains an epoxide reactive hydrazide group on one end and a sulfhydryl reactive maleimide on the other. There are several such linkers that are commercially available at various lengths. Also, the linker can be attached to the Janus molecule followed by reaction of the remaining reactive end with the dendron. [See reaction below.]At this stage of the synthesis, the imaging half of the Janus molecule has been constructed. The tert-butyl esters are then removed with formic acid. This acid is then equilibrated with excess ethylenediamine or tris(2-aminoethyl)amine and coupled with carbodiimide. A primary amine surface is available for conjugating proteins for the targeting end of the Janus dendrimer. [See reaction scheme below. Three dendrons form the Janus dendrimer.]A second option for the targeting end is to equilibrate a PAMAM dendrimer with an amine surface with this acid and coupling with carbodiimide. Again, the PAMAM dendrimer surface is available with several coupling sites for the proteins and several generations or sizes to choose from. [See reaction scheme below.]A third option is further reiteration with Behera branch cell reagent by equilibrating with the acid and carbodiimide coupling as described in Wiener's paper. This gives more surface groups if needed and/or better presentation for conjugation.The following Scheme shows the various reaction steps and molecules formed. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
93% | In diethyl ether; dichloromethane; at 20℃; for 1.0h; | Example 52; Synthesis of Compound (II-10); Step (1): Compound 10a ? Compound 10b; Compound 10a (11.04 g, 40 mmol) was dissolved in diethyl ether (100 mL) and methylene chloride (400 mL), and then diphenyldiazomethane (17.09 g, 88 mmol) was added thereto, subsequently stirring at room temperature for 1 hour. The reaction solution was concentrated in vacuo, and then hexane was added thereto. The resulting solid was filtrated to yield Compound 10b (22.6 g, 93%). 1H-NMR (DMSO-d6) delta (delta) : 5.15 (2H, s), 6.93 (2H, s), 7.30-7.50 (20H, m). |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
With sodium hydrogencarbonate; In water; | General procedure: An aqueous solution of 2 mmol of NaOH (or NaHCO3 in the case of meso-2,3-dibromosuccinate; mdbs-2H) was added to 1 mmol of de dicarboxylic acid (H2X) dissolved in the minimum of distilled water. The mixture was kept in the dark, and 2 mmol of silver(I) nitrate were added which yielded a white precipitate. The heterogeneous mixture was stirred for 15-30 min and the silver salt, i.e. Ag2X, was isolated by filtration |
Tags: 608-36-6 synthesis path| 608-36-6 SDS| 608-36-6 COA| 608-36-6 purity| 608-36-6 application| 608-36-6 NMR| 608-36-6 COA| 608-36-6 structure
Precautionary Statements-General | |
Code | Phrase |
P101 | If medical advice is needed,have product container or label at hand. |
P102 | Keep out of reach of children. |
P103 | Read label before use |
Prevention | |
Code | Phrase |
P201 | Obtain special instructions before use. |
P202 | Do not handle until all safety precautions have been read and understood. |
P210 | Keep away from heat/sparks/open flames/hot surfaces. - No smoking. |
P211 | Do not spray on an open flame or other ignition source. |
P220 | Keep/Store away from clothing/combustible materials. |
P221 | Take any precaution to avoid mixing with combustibles |
P222 | Do not allow contact with air. |
P223 | Keep away from any possible contact with water, because of violent reaction and possible flash fire. |
P230 | Keep wetted |
P231 | Handle under inert gas. |
P232 | Protect from moisture. |
P233 | Keep container tightly closed. |
P234 | Keep only in original container. |
P235 | Keep cool |
P240 | Ground/bond container and receiving equipment. |
P241 | Use explosion-proof electrical/ventilating/lighting/equipment. |
P242 | Use only non-sparking tools. |
P243 | Take precautionary measures against static discharge. |
P244 | Keep reduction valves free from grease and oil. |
P250 | Do not subject to grinding/shock/friction. |
P251 | Pressurized container: Do not pierce or burn, even after use. |
P260 | Do not breathe dust/fume/gas/mist/vapours/spray. |
P261 | Avoid breathing dust/fume/gas/mist/vapours/spray. |
P262 | Do not get in eyes, on skin, or on clothing. |
P263 | Avoid contact during pregnancy/while nursing. |
P264 | Wash hands thoroughly after handling. |
P265 | Wash skin thouroughly after handling. |
P270 | Do not eat, drink or smoke when using this product. |
P271 | Use only outdoors or in a well-ventilated area. |
P272 | Contaminated work clothing should not be allowed out of the workplace. |
P273 | Avoid release to the environment. |
P280 | Wear protective gloves/protective clothing/eye protection/face protection. |
P281 | Use personal protective equipment as required. |
P282 | Wear cold insulating gloves/face shield/eye protection. |
P283 | Wear fire/flame resistant/retardant clothing. |
P284 | Wear respiratory protection. |
P285 | In case of inadequate ventilation wear respiratory protection. |
P231 + P232 | Handle under inert gas. Protect from moisture. |
P235 + P410 | Keep cool. Protect from sunlight. |
Response | |
Code | Phrase |
P301 | IF SWALLOWED: |
P304 | IF INHALED: |
P305 | IF IN EYES: |
P306 | IF ON CLOTHING: |
P307 | IF exposed: |
P308 | IF exposed or concerned: |
P309 | IF exposed or if you feel unwell: |
P310 | Immediately call a POISON CENTER or doctor/physician. |
P311 | Call a POISON CENTER or doctor/physician. |
P312 | Call a POISON CENTER or doctor/physician if you feel unwell. |
P313 | Get medical advice/attention. |
P314 | Get medical advice/attention if you feel unwell. |
P315 | Get immediate medical advice/attention. |
P320 | |
P302 + P352 | IF ON SKIN: wash with plenty of soap and water. |
P321 | |
P322 | |
P330 | Rinse mouth. |
P331 | Do NOT induce vomiting. |
P332 | IF SKIN irritation occurs: |
P333 | If skin irritation or rash occurs: |
P334 | Immerse in cool water/wrap n wet bandages. |
P335 | Brush off loose particles from skin. |
P336 | Thaw frosted parts with lukewarm water. Do not rub affected area. |
P337 | If eye irritation persists: |
P338 | Remove contact lenses, if present and easy to do. Continue rinsing. |
P340 | Remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P341 | If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P342 | If experiencing respiratory symptoms: |
P350 | Gently wash with plenty of soap and water. |
P351 | Rinse cautiously with water for several minutes. |
P352 | Wash with plenty of soap and water. |
P353 | Rinse skin with water/shower. |
P360 | Rinse immediately contaminated clothing and skin with plenty of water before removing clothes. |
P361 | Remove/Take off immediately all contaminated clothing. |
P362 | Take off contaminated clothing and wash before reuse. |
P363 | Wash contaminated clothing before reuse. |
P370 | In case of fire: |
P371 | In case of major fire and large quantities: |
P372 | Explosion risk in case of fire. |
P373 | DO NOT fight fire when fire reaches explosives. |
P374 | Fight fire with normal precautions from a reasonable distance. |
P376 | Stop leak if safe to do so. Oxidising gases (section 2.4) 1 |
P377 | Leaking gas fire: Do not extinguish, unless leak can be stopped safely. |
P378 | |
P380 | Evacuate area. |
P381 | Eliminate all ignition sources if safe to do so. |
P390 | Absorb spillage to prevent material damage. |
P391 | Collect spillage. Hazardous to the aquatic environment |
P301 + P310 | IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. |
P301 + P312 | IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. |
P301 + P330 + P331 | IF SWALLOWED: Rinse mouth. Do NOT induce vomiting. |
P302 + P334 | IF ON SKIN: Immerse in cool water/wrap in wet bandages. |
P302 + P350 | IF ON SKIN: Gently wash with plenty of soap and water. |
P303 + P361 + P353 | IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower. |
P304 + P312 | IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell. |
P304 + P340 | IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing. |
P304 + P341 | IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing. |
P305 + P351 + P338 | IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. |
P306 + P360 | IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes. |
P307 + P311 | IF exposed: call a POISON CENTER or doctor/physician. |
P308 + P313 | IF exposed or concerned: Get medical advice/attention. |
P309 + P311 | IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician. |
P332 + P313 | IF SKIN irritation occurs: Get medical advice/attention. |
P333 + P313 | IF SKIN irritation or rash occurs: Get medical advice/attention. |
P335 + P334 | Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages. |
P337 + P313 | IF eye irritation persists: Get medical advice/attention. |
P342 + P311 | IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician. |
P370 + P376 | In case of fire: Stop leak if safe to Do so. |
P370 + P378 | In case of fire: |
P370 + P380 | In case of fire: Evacuate area. |
P370 + P380 + P375 | In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion. |
P371 + P380 + P375 | In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion. |
Storage | |
Code | Phrase |
P401 | |
P402 | Store in a dry place. |
P403 | Store in a well-ventilated place. |
P404 | Store in a closed container. |
P405 | Store locked up. |
P406 | Store in corrosive resistant/ container with a resistant inner liner. |
P407 | Maintain air gap between stacks/pallets. |
P410 | Protect from sunlight. |
P411 | |
P412 | Do not expose to temperatures exceeding 50 oC/ 122 oF. |
P413 | |
P420 | Store away from other materials. |
P422 | |
P402 + P404 | Store in a dry place. Store in a closed container. |
P403 + P233 | Store in a well-ventilated place. Keep container tightly closed. |
P403 + P235 | Store in a well-ventilated place. Keep cool. |
P410 + P403 | Protect from sunlight. Store in a well-ventilated place. |
P410 + P412 | Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF. |
P411 + P235 | Keep cool. |
Disposal | |
Code | Phrase |
P501 | Dispose of contents/container to ... |
P502 | Refer to manufacturer/supplier for information on recovery/recycling |
Physical hazards | |
Code | Phrase |
H200 | Unstable explosive |
H201 | Explosive; mass explosion hazard |
H202 | Explosive; severe projection hazard |
H203 | Explosive; fire, blast or projection hazard |
H204 | Fire or projection hazard |
H205 | May mass explode in fire |
H220 | Extremely flammable gas |
H221 | Flammable gas |
H222 | Extremely flammable aerosol |
H223 | Flammable aerosol |
H224 | Extremely flammable liquid and vapour |
H225 | Highly flammable liquid and vapour |
H226 | Flammable liquid and vapour |
H227 | Combustible liquid |
H228 | Flammable solid |
H229 | Pressurized container: may burst if heated |
H230 | May react explosively even in the absence of air |
H231 | May react explosively even in the absence of air at elevated pressure and/or temperature |
H240 | Heating may cause an explosion |
H241 | Heating may cause a fire or explosion |
H242 | Heating may cause a fire |
H250 | Catches fire spontaneously if exposed to air |
H251 | Self-heating; may catch fire |
H252 | Self-heating in large quantities; may catch fire |
H260 | In contact with water releases flammable gases which may ignite spontaneously |
H261 | In contact with water releases flammable gas |
H270 | May cause or intensify fire; oxidizer |
H271 | May cause fire or explosion; strong oxidizer |
H272 | May intensify fire; oxidizer |
H280 | Contains gas under pressure; may explode if heated |
H281 | Contains refrigerated gas; may cause cryogenic burns or injury |
H290 | May be corrosive to metals |
Health hazards | |
Code | Phrase |
H300 | Fatal if swallowed |
H301 | Toxic if swallowed |
H302 | Harmful if swallowed |
H303 | May be harmful if swallowed |
H304 | May be fatal if swallowed and enters airways |
H305 | May be harmful if swallowed and enters airways |
H310 | Fatal in contact with skin |
H311 | Toxic in contact with skin |
H312 | Harmful in contact with skin |
H313 | May be harmful in contact with skin |
H314 | Causes severe skin burns and eye damage |
H315 | Causes skin irritation |
H316 | Causes mild skin irritation |
H317 | May cause an allergic skin reaction |
H318 | Causes serious eye damage |
H319 | Causes serious eye irritation |
H320 | Causes eye irritation |
H330 | Fatal if inhaled |
H331 | Toxic if inhaled |
H332 | Harmful if inhaled |
H333 | May be harmful if inhaled |
H334 | May cause allergy or asthma symptoms or breathing difficulties if inhaled |
H335 | May cause respiratory irritation |
H336 | May cause drowsiness or dizziness |
H340 | May cause genetic defects |
H341 | Suspected of causing genetic defects |
H350 | May cause cancer |
H351 | Suspected of causing cancer |
H360 | May damage fertility or the unborn child |
H361 | Suspected of damaging fertility or the unborn child |
H361d | Suspected of damaging the unborn child |
H362 | May cause harm to breast-fed children |
H370 | Causes damage to organs |
H371 | May cause damage to organs |
H372 | Causes damage to organs through prolonged or repeated exposure |
H373 | May cause damage to organs through prolonged or repeated exposure |
Environmental hazards | |
Code | Phrase |
H400 | Very toxic to aquatic life |
H401 | Toxic to aquatic life |
H402 | Harmful to aquatic life |
H410 | Very toxic to aquatic life with long-lasting effects |
H411 | Toxic to aquatic life with long-lasting effects |
H412 | Harmful to aquatic life with long-lasting effects |
H413 | May cause long-lasting harmful effects to aquatic life |
H420 | Harms public health and the environment by destroying ozone in the upper atmosphere |
Sorry,this product has been discontinued.
Home
* Country/Region
* Quantity Required :
* Cat. No.:
* CAS No :
* Product Name :
* Additional Information :