[ CAS No. 25713-60-4 ] {[proInfo.proName]}

Name: 25713-60-4|2,4,6-Tris(2,4,6-tribromophenoxy)-1,3,5-triazine|98%
Brand: Ambeed
SKU: A466162
Price: 10.0 USD
Availability: InStock
Rating: 90 (22 reviews)

,{[proInfo.pro_purity]}

Cat. No.: {[proInfo.prAm]}

DV 2D 3D

3d Animation Molecule Structure of 25713-60-4

Structure of 25713-60-4 * Storage: {[proInfo.prStorage]}

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

For Research Only 110K+ Compounds Competitive Price 1-2 Day Shipping

Quality Control of [ 25713-60-4 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 25713-60-4 ]

SDS Specification

Alternatived Products of [ 25713-60-4 ]

Product Details of [ 25713-60-4 ]

CAS No. :	25713-60-4	MDL No. :	MFCD03092948
Formula :	C₂₁H₆Br₉N₃O₃	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	BDFBPPCACYFGFA-UHFFFAOYSA-N
M.W :	1067.43	Pubchem ID :	91820
Synonyms :

Calculated chemistry of [ 25713-60-4 ]

Physicochemical Properties

Num. heavy atoms :	36
Num. arom. heavy atoms :	24
Fraction Csp3 :	0.0
Num. rotatable bonds :	6
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	168.67
TPSA :	66.36 Å²

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	5.87
Log Po/w (XLOGP3) :	11.78
Log Po/w (WLOGP) :	12.11
Log Po/w (MLOGP) :	8.6
Log Po/w (SILICOS-IT) :	9.64
Consensus Log Po/w :	9.6

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	0.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-13.98
Solubility :	0.0 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (Ali) :	-13.17
Solubility :	0.0000000001 mg/ml ; 0.0 mol/l
Class :	Insoluble
Log S (SILICOS-IT) :	-14.65
Solubility :	0.0 mg/ml ; 0.0 mol/l
Class :	Insoluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.96

Safety of [ 25713-60-4 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 25713-60-4 ]

* 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.

Downstream synthetic route of [ 25713-60-4 ]

[ 25713-60-4 ] Synthesis Path-Downstream 1~4

Yield	Reaction Conditions	Operation in experiment
	Entspr. Phenolat, Cyanurchlorid;
		1 EXAMPLE 1 While heating the solution at reflux, a solution of cyanuric chloride (46.5 g, 0.2523 mole in 300 g of dry acetone) was added with vigorous stirring, and a mild exothermic reaction was observed during the addition. The slurry was continuously heated at reflux (58° C.) for three hours. After cooling to ambient temperature, the solids were filtered and the cake was thoroughly washed with acetone then water and dried in an aerated oven at 140° C. over a weekend. The cake gave 257 g of tris(2,4,6-tribromophenoxy)-s-1,3,5-triazine as white fine solids of 97% purity. The yield was 96% based on the cyanuric chloride and 85% based on the phenol.
	Cyanurchlorid (II), 2,4,6-Tribrom-natriumphenolat (III);

2
[ 108-77-0 ]
[ 118-79-6 ]
[ 108-95-2 ]
[ 25713-60-4 ]

Yield	Reaction Conditions	Operation in experiment
99%	With sodium hydroxide; hydrogen bromide; bromine; hydrazine In water; acetone	2 EXAMPLE 2 EXAMPLE 2 A 3-Liter flask equipped with an agitator, a thermometer and condenser was charged with 300 g (3.1881 mol) of phenol and 300 g of water. While submerging in a water bath, the flask was fed with 1,000 g (60% of total) of bromine over a period of 30 minutes and the pot temperature was allowed to go up from 23 to 50° C. At this temperature the bath was replaced, and while warming with a mantle, the mixture was fed with the rest of bromine (683 g) over 50 minutes and the temperature was allowed to raise slowly to 100° C. The total bromine fed was 1,683 g (10.521 mol, 10% excess). A portion (58%, 450 g) of the HBr byproduct formed was dissolved in the water and another portion (about 42%, 325 g) was evolved as gas and was scrubbed by a caustic solution. After being cooked at 100° C. for 0.5 hour, the organic layer was analyzed, and was indicated by GC to contain over 98% of 2,4,6-tribromophenol. The upper aqueous HBr layer was removed while hot by a phase cut, and the bottom layer of molten 2,4,6-tribromophenol was treated first with 30 mL of aqueous (35%) hydrazine to convert the red-colored 2,4,6-tribromophenol mixture to an off-white color, and then with 25% caustic to bring the pH to 7. Acetone (900 g) was then added, slowly at beginning, to the hot molten 2,4,6-tribromophenol with stirring. While heating the acetone solution at reflux, 500 g of 25% aqueous caustic solution (which contained 125 g of NaOH, 3.1243 mol, 98% based on phenol) was added to the flask to bring up the pH of the solution to 11-12. Next was added an acetone solution of cyanuric chloride (192 g, 1.0412 mol, 98% based on phenol, in 770 g of dry acetone) over 30 minutes with vigorous agitation (350 RPM). Heating of the resulting slurry was continued at reflux (68° C.) for 1 hour, and then the slurry was cooled to 40° C. and filtered, and the filter cake was washed with acetone (2, 500 mL each) and then with hot water (2, 500 mL each). The cake was dried at 140° C. in an aerated oven for 2 days to obtain tris(2,4,6-tribromophenoxy)-s1,3,5-triazine as white, free-flowing, fine particle size solids. The product was formed in a yield of 99% based on cyanuric chloride and 98% based on phenol, and was found by GC analysis to have a purity of 99.6 area percent.

Reference： [1]Current Patent Assignee: ALBEMARLE CORP - US5965731, 1999, A

3
[ 108-77-0 ]
[ 118-79-6 ]
[ 25713-60-4 ]

Yield	Reaction Conditions	Operation in experiment
98%	With magnesium silicate; sodium hydroxide; sodium sulfite; trimethylamine In dichloromethane; water at 3 - 30℃; Reflux;	6 [0030] Example 6The procedure of Example 3 was repeated except that 0.25g of talc (1.0% of cyanuric chloride) was added to the reaction system in place of 12.5mg of fumed silica. Three times washing with water was needed to decrease the NaCl concentration in the washing below lOOppm. The washed filter cake was dried in an oven at 1300C until an equilibrium was reached to give 142.3g (98%) of the desired product. The product showed to have a NaCl content of 70ppm and an electroconductivity of leaching water of 12 xlO-6S/cm.
	Stage #1: 2,4,6-tribromophenol With potassium carbonate In acetone for 1.5h; Heating / reflux; Stage #2: 1,3,5-trichloro-2,4,6-triazine In acetone at 25℃; for 3.25h; Heating / reflux;	EXAMPLE[0015] To a reactor is charged 2,4,6-tribromophenol (75 g; 0.2267 mol; 1 eq.) preferably with an assay of > 99%. To this is added acetone (100 g) preferably of analytical quantity (< 2000 ppm water). Anhydrous potassium carbonate is then added (32 g; 0.2315 mol; 1.02 eq).The resultant mixture is heated to reflux and kept under reflux for 1.5 hours. The reaction mixture is then cooled down to 25°C. Cyanuric chloride is then added (13.5 g; 0.0732 mol; 0.32 eq). The cyanuric chloride preferably has a purity > 99.5%. The addition is effected by adding the cyanuric chloride in ten portions over a period of 15 minutes. The resultant mixture is heated to reflux and kept under reflux for 3 hours. After cooling down to 350C, the reaction product mixture is filtered. The wet cake from the filtration is washed with acetone (72 g) preferably of analytical quality (< 2000 ppm water) at room temperature. Then, the wet cake is washed with hot water at 450C (72 g). The product was then dried under vacuum at 900C. In a laboratory run conducted as above, the final product, tris(2,4,6- tribromophenoxy)-l,3,5-triazine, is isolated as a white powder (66 g; 0.0618 mol) in a yield of 82%. The assay by HPLC is 99.5 area % and the melting point is 229.8°C by DSC.

Reference： [1]Current Patent Assignee: DKS CO., LTD.; ICL GROUP LTD - WO2010/125611, 2010, A1 Location in patent: Page/Page column 9
[2]Current Patent Assignee: ALBEMARLE CORP - WO2008/71214, 2008, A1 Location in patent: Page/Page column 4

4
[ 616-47-7 ]
[ 108-77-0 ]
[ 118-79-6 ]
[ 25713-60-4 ]

Yield	Reaction Conditions	Operation in experiment
98%	Stage #1: 1-methyl-1H-imidazole; 2,4,6-tribromophenol In chlorobenzene at 40℃; for 2h; Stage #2: 1,3,5-trichloro-2,4,6-triazine In chlorobenzene at 20 - 25℃; for 4h;	1 Embodiment 1 A three-necked flask was charged with 99.3 g of 2,4,6-tribromophenol and 120 ml of chlorobenzene, Stirring to dissolve under warming temperature, 24.6 g N-methylimidazole was added and the reaction was stirred for 2 hours at 40 ° C. Add 18.4 g of cyanuric chloride 20 ~ 25 incubated for 4 hours, The reaction was complete by TLC. Suction filtration, The filter cake was washed twice with 10 ml of chlorobenzene, The combined filtrates, Decompression recovery of chlorobenzene, Drying 104.5g white solid. Yield 98%.Embodiment 1

Reference： [1]Current Patent Assignee: JIANGSU XINZHOU CHEMICAL SCIENCE TECHNOLOGY - CN104761510, 2017, B Location in patent: Paragraph 0021; 0022; 0023; 0024; 0025; 0027; 0028-0033

Same Skeleton Products

Related Products

Historical Records

Related Functional Groups of
[ 25713-60-4 ]

Aryls

[ 1016838-18-8 ]

2-(4-Bromophenoxy)pyrimidine

Similarity: 0.72

Bromides

[ 1016838-18-8 ]

2-(4-Bromophenoxy)pyrimidine

Similarity: 0.72

Ethers

[ 1016838-18-8 ]

2-(4-Bromophenoxy)pyrimidine

Similarity: 0.72

Ghs Precautionary Statements

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

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 -

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

[ CAS No. 25713-60-4 ] {[proInfo.proName]}

Quality Control of [ 25713-60-4 ]

Related Doc. of [ 25713-60-4 ]

Product Details of [ 25713-60-4 ]

Calculated chemistry of [ 25713-60-4 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 25713-60-4 ]

Application In Synthesis of [ 25713-60-4 ]

[ 25713-60-4 ] Synthesis Path-Downstream 1~4

Related Functional Groups of [ 25713-60-4 ]

Aryls

Bromides

Ethers

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 25713-60-4 ]