[ CAS No. 330680-46-1 ] {[proInfo.proName]}

Name: 330680-46-1|Trimethyl [2,2':6',2''-terpyridine]-4,4',4''-tricarboxylate|97%
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Quality Control of [ 330680-46-1 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 330680-46-1 ]

Product Details of [ 330680-46-1 ]

CAS No. :	330680-46-1	MDL No. :	MFCD11042545
Formula :	C₂₁H₁₇N₃O₆	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	YDXTYOYBYASPDS-UHFFFAOYSA-N
M.W :	407.38	Pubchem ID :	66776557
Synonyms :

Calculated chemistry of [ 330680-46-1 ]

Physicochemical Properties

Num. heavy atoms :	30
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.14
Num. rotatable bonds :	8
Num. H-bond acceptors :	9.0
Num. H-bond donors :	0.0
Molar Refractivity :	104.54
TPSA :	117.57 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-7.6 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.54
Log Po/w (XLOGP3) :	1.67
Log Po/w (WLOGP) :	2.57
Log Po/w (MLOGP) :	0.74
Log Po/w (SILICOS-IT) :	3.31
Consensus Log Po/w :	2.37

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.33
Solubility :	0.189 mg/ml ; 0.000464 mol/l
Class :	Soluble
Log S (Ali) :	-3.75
Solubility :	0.0719 mg/ml ; 0.000177 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-6.46
Solubility :	0.000142 mg/ml ; 0.000000348 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	3.11

Safety of [ 330680-46-1 ]

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

Application In Synthesis of [ 330680-46-1 ]

* 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.

Upstream synthesis route of [ 330680-46-1 ]
Downstream synthetic route of [ 330680-46-1 ]

[ 330680-46-1 ] Synthesis Path-Upstream 1~4

1
[ 330680-46-1 ]
[ 216018-58-5 ]

Reference： [1] Journal of the American Chemical Society, 2016, vol. 138, # 28, p. 8702 - 8705

2
[ 67-56-1 ]
[ 216018-58-5 ]
[ 330680-46-1 ]

Yield	Reaction Conditions	Operation in experiment
3.42 g	for 6 h; Reflux	2,2 ': 6', 2 "-terpyridyl-4,4 ', 4" -tricarboxylic acid3.65 g (10.0 mmol) of the compound (manufactured by Tateyama Kasei)Was placed in a 500 mL eggplant flask. continue,2,2 ': 6', 2 "-terpyridyl-4,4 ', 4" -tricarboxylic acid,5 mL of concentrated sulfuric acid and 300 mL of methanol were added,The resulting solution was heated to reflux for 6 hours.The reaction solution thus obtained was filtered off and the resulting solid was dried under vacuum to give 3.42 g ofTo obtain trimethyl 2,2 ': 6', 2 "-terpyridyl-4,4 ', 4" -tricarboxylate.

Reference： [1] Dalton Transactions, 2011, vol. 40, # 17, p. 4497 - 4504
[2] Chemical Communications, 1997, # 18, p. 1705 - 1706
[3] Journal of the American Chemical Society, 2001, vol. 123, # 8, p. 1613 - 1624
[4] RSC Advances, 2013, vol. 3, # 48, p. 26035 - 26046
[5] Inorganica Chimica Acta, 2016, vol. 442, p. 158 - 166
[6] Patent: JP5901496, 2016, B2, . Location in patent: Paragraph 0058

3
[ 33354-77-7 ]
[ 330680-46-1 ]

Reference： [1] Journal of the American Chemical Society, 2001, vol. 123, # 8, p. 1613 - 1624

4
[ 33354-75-5 ]
[ 330680-46-1 ]

Reference： [1] Chemical Communications, 1997, # 18, p. 1705 - 1706

[ 330680-46-1 ] Synthesis Path-Downstream 1~36

1
[ 67-56-1 ]
[ 216018-58-5 ]
[ 330680-46-1 ]

Yield	Reaction Conditions	Operation in experiment
3.42 g	With sulfuric acid; for 6h;Reflux;	2,2 ': 6', 2 "-terpyridyl-4,4 ', 4" -tricarboxylic acid3.65 g (10.0 mmol) of the compound (manufactured by Tateyama Kasei)Was placed in a 500 mL eggplant flask. continue,2,2 ': 6', 2 "-terpyridyl-4,4 ', 4" -tricarboxylic acid,5 mL of concentrated sulfuric acid and 300 mL of methanol were added,The resulting solution was heated to reflux for 6 hours.The reaction solution thus obtained was filtered off and the resulting solid was dried under vacuum to give 3.42 g ofTo obtain trimethyl 2,2 ': 6', 2 "-terpyridyl-4,4 ', 4" -tricarboxylate.

Reference： [1]Dalton Transactions,2011,vol. 40,p. 4497 - 4504
[2]Chemical Communications,1997,p. 1705 - 1706
[3]RSC Advances,2013,vol. 3,p. 26035 - 26046
[4]Inorganica Chimica Acta,2016,vol. 442,p. 158 - 166
[5]Patent: JP5901496,2016,B2 .Location in patent: Paragraph 0058

2
[ 33354-77-7 ]
[ 330680-46-1 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 1613 - 1624

3
[ 33354-75-5 ]
[ 330680-46-1 ]

Reference： [1]Chemical Communications,1997,p. 1705 - 1706

4
ruthenium trichloride hydrate [ No CAS ]
[ 330680-46-1 ]
[ 330680-47-2 ]

Reference： [1]Chemical Communications,1997,p. 1705 - 1706

5
[ 10049-08-8 ]
[ 330680-46-1 ]
[ 330680-47-2 ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 1613 - 1624

6
[ 330680-46-1 ]
[ 1309964-62-2 ]

Reference： [1]Dalton Transactions,2011,vol. 40,p. 4497 - 4504

7
[ 330680-46-1 ]
[ 1309964-61-1 ]

Reference： [1]Dalton Transactions,2011,vol. 40,p. 4497 - 4504

8
[ 330680-46-1 ]
[ 1309964-63-3 ]

Reference： [1]Dalton Transactions,2011,vol. 40,p. 4497 - 4504

9
[ 330680-46-1 ]
[ 1309964-64-4 ]

Reference： [1]Dalton Transactions,2011,vol. 40,p. 4497 - 4504

10
[ 330680-46-1 ]
[ 1309964-65-5 ]

Reference： [1]Dalton Transactions,2011,vol. 40,p. 4497 - 4504

11
[ 330680-46-1 ]
[(C₂H₅)3NH][Ru(H₃tcterpy)(NCS)3]*2H₂O [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 1613 - 1624

12
[ 330680-46-1 ]
[(C₄H₉)4N]4[Ru(tcterpy)(NCS)3] [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 1613 - 1624

13
[ 330680-46-1 ]
[(C₄H₉)4N]3[Ru(Htcterpy)(NCS)3]*3H₂O [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 1613 - 1624

14
[ 330680-46-1 ]
[(C₄H₉)4N]2[Ru(H₂tcterpy)(NCS)3]*3H₂O [ No CAS ]

Reference： [1]Journal of the American Chemical Society,2001,vol. 123,p. 1613 - 1624

15
ruthenium(III) chloride trihydrate [ No CAS ]
[ 330680-46-1 ]
[ 330680-47-2 ]

Reference： [1]Inorganic Chemistry,2012,vol. 51,p. 4343 - 4351

16
C₃₈H₃₅FeN₃Ru⁽¹⁺⁾*F₆P^(1-) [ No CAS ]
[ 330680-46-1 ]
[(Fcdpb)Ru(trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate)][PF₆] [ No CAS ]

Reference： [1]Chemistry - An Asian Journal,2013,vol. 8,p. 2843 - 2850

17
dichlorotetrakis(dimethylsulfoxide)ruthenium(II) [ No CAS ]
[ 330680-46-1 ]
Ru(trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate)(DMSO)Cl<SUB>2</SUB> [ No CAS ]

Reference： [1]Inorganic Chemistry,2014,vol. 53,p. 2083 - 2095

18
[ 1609575-02-1 ]
[ 333-20-0 ]
[ 330680-46-1 ]
[ 1609575-05-4 ]

Reference： [1]Inorganic Chemistry,2014,vol. 53,p. 5417 - 5419

19
[ 1609575-04-3 ]
[ 333-20-0 ]
[ 330680-46-1 ]
[(trimethyl-2,2′:6′,2″-terpyridine-4,4′,4″-tricarboxylate)Ru(2-thienyl)dipyrrinate(NCS)] [ No CAS ]

Reference： [1]Inorganic Chemistry,2014,vol. 53,p. 5417 - 5419

20
ammonium hexachloroosmate(IV) [ No CAS ]
[ 330680-46-1 ]
(trimethyl 4,4',4''-tricarboxylate-2,2':6',2''-terpyridine)OsCl<SUB>3</SUB> [ No CAS ]

Reference： [1]Chemical Communications,2014,vol. 50,p. 10082 - 10085

21
ruthenium(III) chloride trihydrate [ No CAS ]
[ 330680-46-1 ]
[ 330680-47-2 ]

Reference： [1]RSC Advances,2013,vol. 3,p. 26035 - 26046
[2]Inorganica Chimica Acta,2016,vol. 442,p. 158 - 166
[3]Inorganic Chemistry Communications,2015,vol. 51,p. 61 - 65

22
[ 330680-46-1 ]
C₅₀H₄₉ClN₅O₆RuS⁽¹⁺⁾ [ No CAS ]

Reference： [1]RSC Advances,2013,vol. 3,p. 26035 - 26046

23
[ 330680-46-1 ]
C₅₆H₆₁ClN₅O₆RuS⁽¹⁺⁾ [ No CAS ]

Reference： [1]RSC Advances,2013,vol. 3,p. 26035 - 26046

24
[ 330680-46-1 ]
C₅₄H₅₁ClN₅O₆RuS₂⁽¹⁺⁾ [ No CAS ]

Reference： [1]RSC Advances,2013,vol. 3,p. 26035 - 26046

25
[ 330680-46-1 ]
C₆₀H₆₃ClN₅O₆RuS₂⁽¹⁺⁾ [ No CAS ]

Reference： [1]RSC Advances,2013,vol. 3,p. 26035 - 26046

26
[ 330680-46-1 ]
C₅₂H₄₃N₆O₆RuS₃^(1-)*2C₁₆H₃₆N⁽¹⁺⁾ [ No CAS ]

Reference： [1]RSC Advances,2013,vol. 3,p. 26035 - 26046

27
[ 330680-46-1 ]
C₄₅H₄₆N₆O₆Ru⁽²⁺⁾ [ No CAS ]

Reference： [1]Inorganica Chimica Acta,2016,vol. 442,p. 158 - 166

28
[ 14516-54-2 ]
[ 330680-46-1 ]
fac-[Mn{trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate-κ²N¹,N²}(CO)₃Br] [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2015,vol. 2015,p. 5757 - 5766

29
[ 14516-54-2 ]
[ 330680-46-1 ]
mer,cis-[Mn(trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate-κ³N¹,N²,N³)(CO)2Br] [ No CAS ]

Reference： [1]European Journal of Inorganic Chemistry,2015,vol. 2015,p. 5757 - 5766

30
[ 330680-46-1 ]
[ 216018-58-5 ]

Reference： [1]Journal of the American Chemical Society,2016,vol. 138,p. 8702 - 8705

31
C₁₆H₁₆F₃N₃ [ No CAS ]
C₁₉H₂₆Cl₄Ru₂ [ No CAS ]
[ 1147550-11-5 ]
[ 330680-46-1 ]
C₃₈H₃₂F₃N₇O₆RuS [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		1.3g of the compound of the d-1-6 with one equivalent ofCompound d-1-7 NMP (N- methyl pyrrolidone) was stirred for 3 hours in the atmosphere of nitrogen at 70 was added to 150ml. Then compound d-1-8 by the addition of 1 eq., Was stirred at 160 time Heating 8, by the addition of 10 eq of ammonium Ansan between arylthio was stirred at 160 8 hours. After concentration of the resulting solution, by addition of water and filtered. Purification of the filtered water to the silica gel column chromatography, and then the obtained compound d-1-9, was added to a mixed solvent of 30ml of acetone and 40ml 1N sodium hydroxide aqueous solution, was stirred for 24 hours at an external temperature of 65 . It returned to room temperature, adjusted to pH 3 with hydrochloric acid and filtered the precipitate to give 2.5g of crude D-1-5a.

Reference： [1]Patent: KR2015/129778,2015,A .Location in patent: Paragraph 0567-0570; 0585; 0586

32
ruthenium(III) chloride trihydrate [ No CAS ]
[ 330680-46-1 ]
trichloro(2,2':6',2''-terpyridyl-4,4',4''-trimethyltricarboxylate) ruthenium(II) [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
3.99 g	In ethanol; chloroform; for 2h;Inert atmosphere; Reflux;	Then, a solution of 2,2 ': 6', 2 "-terpyridyl-4,4 ', 4" -tricarboxylate2.86 g (7.0 mmol)And ruthenium trichloride trihydrate1.83 g (7.0 mmol)Was fitted with a thermometer, a cooling pipe fitted with a three way cock, and a stirrer500 mLA three-necked flask,250 mL of ethanol which had been deoxygenated by bubbling argon gas and 250 mL of chloroform were added to the flask.The reaction solution thus obtained was refluxed under an argon atmosphere for 2 hours, and then the solvent was distilled off with an evaporator.Ethanol was added to the obtained residue to disperse the solid, and the solid was filtered off by suction filtration and dried under vacuum,3.99 gOf trichloro(2,2 ': 6', 2 "-terpyridyl-4,4 ', 4" -tricarboxylic acid trimethyl) ruthenium (II) complex was obtained.

Reference： [1]Patent: JP5901496,2016,B2 .Location in patent: Paragraph 0059

33
ammonium thiocyanate [ No CAS ]
C₁₉H₂₆Cl₄Ru₂ [ No CAS ]
C₂₁H₂₂F₃N₃S [ No CAS ]
[ 330680-46-1 ]
C₄₃H₃₈F₃N₇O₆RuS₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		1.22 g of compound d-1-7 and 1.62 g of compound d-1-6 were added to 150 ml of N-methylpyrrolidinone (NMP) Under a nitrogen atmosphere, the mixture was stirred at 70 C for 3 hours. Then, 1.63 g of compound d-1-8 was added thereto, And heated with stirring at 160 C for 8 hours. Thereafter, 10.7 g of ammonium thiocyanate, And stirred at 160 C for 8 hours. After concentrating the stirred solution, water was added for filtration. The filtrate was purified by silica gel column chromatography to obtain Compound d-1-9. Compound d-1-9 was added to a mixed solvent of acetone 30 ml and 1 N sodium hydroxide aqueous solution 40 ml, and it stirred at the external temperature 65 degreeC for 24 hours. After the reaction solution was returned to room temperature, Hydrochloric acid was added to adjust the pH to 3. The resulting precipitate was filtered to obtain 3.3 g of the crude complex metal complex dye 1 (Dye 1)

Reference： [1]Patent: TWI592416,2017,B .Location in patent: Paragraph 0170; 0172; 0177

34
ammonium thiocyanate [ No CAS ]
C₂₁H₂₂F₃N₃S [ No CAS ]
C₁₉H₂₆Cl₃Ru₂⁽¹⁺⁾*Cl^(1-) [ No CAS ]
[ 330680-46-1 ]
C₄₃H₃₈F₃N₇O₆RuS₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		To 150 mL of NMP (N-methylpyrrolidone), 1.22 g of compound d-1-7 and 1.62 g of compound d-1-6 were added, followed by stirring at 70 C. for 3 hours under a nitrogen atmosphere. Then, 1.63 g of compound d-1-8 was added thereto, followed by stirring under heating at 160 C. for 8 hours. Then, 10.7 g of ammonium thiocyanate was added thereto, followed by stirring at 160 C. for 8 hours. After concentration, water was added, followed by filtration. The filtrate was purified by a silica gel column chromatography to obtain compound d-1-9, followed by adding the obtained compound to a mixed solvent of 30 mL of acetone and 40 mL of a 1N sodium hydroxide aqueous solution, and stirring for 24 hours at external temperature of 65 C. After bringing the temperature to room temperature, the pH was adjusted to 1.5 with hydrochloric acid, and the precipitate was filtrated, to give 3.3 g of crude product D-1-1a. (0270) This was dissolved in a methanol solution together with TBAOH (tetrabutylammonium hydroxide), and purified by SephadexLH-20 column. The fraction of the main layer was collected and concentrated, and then a solution of 0.1M trifluoromethanesulfonic acid was added thereto so as to adjust the pH thereof to 3, and the precipitate was filtered, thereby obtaining 2.4 g of exemplified dye D-1-1a. (0271) The structure of exemplified dye D-1-1a obtained was confirmed by MS measurement. (0272) MS-ESI m/z=928.1 (M-H)+

Reference： [1]Patent: US9953768,2018,B2 .Location in patent: Page/Page column 63-68

35
ammonium thiocyanate [ No CAS ]
diammonium hexachloroosmate(IV) [ No CAS ]
C₂₁H₂₂F₃N₃S [ No CAS ]
[ 330680-46-1 ]
C₄₃H₃₈F₃N₇O₆OsS₂⁽²⁺⁾ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
		Exemplified dye D-3-1a was synthesized in the same manner as exemplified dye D-1-1a, according to the method shown in the following scheme, except that compound d-1-7 for exemplified dye D-1-1a was changed to compound d-15-1.

Reference： [1]Patent: US9953768,2018,B2 .Location in patent: Page/Page column 74-75

36
[ CAS Unavailable ]
[ 1762-95-4 ]
[ 1429127-35-4 ]
[ 330680-46-1 ]
[ CAS Unavailable ]

Yield	Reaction Conditions	Operation in experiment
5.2 g	Stage #1: [Ru(p-cymene)Cl₂]₂; C₃₅H₄₆F₂N₂ In 1-methyl-pyrrolidin-2-one at 70℃; Inert atmosphere; Stage #2: trimethyl 2,2':6',2''-terpyridine-4,4',4''-tricarboxylate In 1-methyl-pyrrolidin-2-one at 160℃; Inert atmosphere; Stage #3: ammonium thiocyanate In 1-methyl-pyrrolidin-2-one at 160℃; Inert atmosphere;	iii (iii) Preparation of Compound d-29 To 3.2 g of compound d-26, 0.5 equivalent of compound d-27 was added to 200 ml of NMP, and the mixture was stirred at 70° C. for 3 hours under nitrogen atmosphere.After that, 1 equivalent of d-28 was added and the mixture was heated and stirred at 160° C. for 8 hours.After that, 20 equivalents of ammonium thiocyanate was added and the mixture was stirred at 160°C for 8 hours. After concentration, water was added and filtered to obtain 5.2 g of d-29.

Reference： [1]Current Patent Assignee: FUJIFILM HOLDINGS CORP. - JP2015/233151, 2015, A Location in patent: Paragraph 0167; 0169

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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
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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. 330680-46-1 ] {[proInfo.proName]}

Quality Control of [ 330680-46-1 ]

Related Doc. of [ 330680-46-1 ]

Product Details of [ 330680-46-1 ]

Calculated chemistry of [ 330680-46-1 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 330680-46-1 ]

Application In Synthesis of [ 330680-46-1 ]

[ 330680-46-1 ] Synthesis Path-Upstream 1~4

[ 330680-46-1 ] Synthesis Path-Downstream 1~36

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry