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Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester

HCID 13745
NotesReactions
Basic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
961-11-5
Standard SMILES
COP(=O)(OC)OC(=CCl)c1cc(Cl)c(Cl)cc1Cl
InChIKey
UBCKGWBNUIFUST-UHFFFAOYSA-N
Molecular formula
C10H9Cl4O4P
Average molar mass
366 g/mol
Monoisotopic mass
363.899257

Overview

Tetrachlorvinphos can cause cancer according to California Labor Code.

Names & identifiers

Preferred name
Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl ester
IUPAC
[2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate
English name
Tetrachlorvinphos
Molecular formula
C10H9Cl4O4P
Molecular weight
365.96

Names & synonyms

Phosphoric acid, 2-chloro-1-(2,4,5-trichlorophenyl)ethenyl dimethyl esterRefChem:862433961-11-5Caswell No. 217ACCRIS 581EINECS 213-506-3EPA Pesticide Chemical Code 083701AI3-25841[2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphateO,O-Dimethyl-O-2-chlor-1-(2,4,5-trichlorphenyl)-vinyl-phosphat [German]O,O-Dimethyl-O-2-chlor-1-(2,4,5-trichlorphenyl)-vinyl-phosphatSCHEMBL27471
Show more names
RABON(R)STIRIFOSREVAP(R)GARDONA(R)Ncgc00090844-01TetrachlorvinphoseTetrachlorfenvinphosDeltamethrin Impurity 7Stirophos(Tetrachlorovinphos)Tetrachlorvinphos 1g [961-11-5]
CHEMBL3185247UBCKGWBNUIFUST-UHFFFAOYSA-NDB-057619NS00114142dimethyl 1-(2',4',5'-trichlorophenyl)-2-chlorovinyl phosphate2-Chloro-1-(2,4,5-trichlorophenyl)ethen-1-yl dimethyl phosphate(Z)-2-chloro-1-(2,4,5-trichlorophenyl)ethenylphosphoric acid dimethyl ester

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
44.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
Formal charge
0
Complexity
371

Physicochemical properties

Melting point
96 °C · 96°C
Boiling point
399.5 · 399.5±42.0 °C(Predicted)
Density
1.52 · 1.520±0.06 g/cm3(Predicted)
form
Mobile Crystals
color
White
Water Solubility
11 mg/L · 11mg/L(20 ºC)
Toxicology and Carcinogenesis
Bioassay of Tetrachlorvinphos for Possible Carcinogenicity (CASRN 961-11-5)
CAS DataBase Reference
961 · 961-11-5
FDA UNII
4 U8Y15ME · YK4U8Y15ME
NIST Chemistry Reference
CVMP(961-11-5)
EPA Substance Registry System
Tetrachlorvinphos (961-11-5)
Symbol(GHS)
7 · GHS07,GHS09
Signal word
Warning
Hazard statements
332 · H332-H302-H410
Precautionary statements

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H302 (98.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 55 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (98.2%)

Toxicology

RAIS Toxicity Values · 6 items

0.0028

OPP

0.03

IRIS Current

0.03

HEAST Current

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6 items

2.30e+01

9.60e+01

2.80e+00

4.00e+03

8.20e-03

2.40e-02

Hazard Quotient Level 3 or Cancer Risk Level 1E-04 · 6 items

2.30e+03

9.60e+03

2.80e+02

4.00e+03

2.40e-02

3.00e-02

Safety data

ridadr
UN2783 (solid); UN3018 (liquid)
hs_code
29199000
Signal word
Warning

Chemistry & industry

Applications · 2 items

DescriptionTetrachlorvinphos belongs to a kind of organophosphate) insecticide with low toxicity on mammals. It is mainly used for the treatment of fleas, ticks, many kinds of flies, lice and insect larvae emerging on livestock and pets as well as their premises. Its formulation includes dust, pet collars, emulsifiable concentrates, feed additives, feed blocks, wettable powders, pellets and granular products. It takes effect through inhibiting the activity of organophosphate cholinesterase of pests.

General DescriptionColorless crystals or white powder. Somewhat corrosive.

Upstream & downstream products

Upstream raw materials

2,2,2',4',5'-PentachloroacetophenoneChlorobenzene

Suppliers17 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
河南中梵实业发展有限公司

Related reactions

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Compound notes

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On this pageBasic informationOverviewNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
961-11-5
PubChem CID
13745
DTXSID
DTXSID1021320
ChEMBL
CHEMBL3185247
EC Number
213-506-3
261 · P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P273-P391-P501
RIDADR
2783 · UN2783 (solid); UN3018 (liquid)
HS Code
29199000 · 29199000
Symbol(GHS)
GHS07,GHS09
Hazard statements
H332-H302-H410
Precautionary statements
P261-P271-P304+P340-P312-P264-P270-P301+P312-P330-P501-P273-P391-P501
+86-18906033525 · [email protected]
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Hebei Fengmu Trading Co., Ltd.+86-15632192160 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]