(E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate

• ChemBase ID: 126504
• Molecular Formular: C12H14Cl3O4P
• Molecular Mass: 359.569921
• Monoisotopic Mass: 357.9695286
• SMILES: Clc1cc(Cl)ccc1/C(=C\Cl)/OP(=O)(OCC)OCC
• Canonical SMILES: CCOP(=O)(O/C(=C/Cl)/c1ccc(cc1Cl)Cl)OCC
• InChI: InChI=1S/C12H14Cl3O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3
• InChIKey: FSAVDKDHPDSCTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate; 2-chloro-1-(2,4-dichlorophenyl)ethenyl diethyl phosphate
• IUPAC Traditional name: chlorfenvinphos
• Synonyms: Chlorfenvinphos solution; Phosphoric Acid 2-Chloro-1-(2,4-dichlorophenyl)ethenyl Diethyl Ester; 2,4-Dichloro-α-(chloromethylene)benzyl Alcohol Diethyl Phosphate; Birlan; Birlane 10G; CVP; Defiance S; Diethyl 1-(2,4-Dichlorophenyl)-2-chlorovinyl Phosphate; Tarene; Unitox; Vinyphate; Zaprawa Enolofos; Clofenvinfos; Chlorfenvinfos; Chlorphenvinfos; Chlofenvinphos; Chlofenvinfos; Vinylphate; Apachlor; Birlane; Dermaton; Enolofos; Haptarax; Haptasol; Sapercon; Steladone; Supona; Chlorfenvinphos; Chlorfenvinphos; 毒虫畏 溶液; 毒虫畏

Database IDs

• CAS Number: 470-90-6
• EC Number: 207-432-0; 203-806-2
• MDL Number: MFCD00041818
• Beilstein Number: 8712900
• PubChem SID: 24862532; 24869443; 162220837
• PubChem CID: 5377791; 5377784
• Chemspider ID: 4526760
• Unique Ingredient Identifier: F2G9XS1W91
• Wikipedia Title: Chlorfenvinphos

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.29736
• LogD (pH = 7.4): 4.29736
• Log P: 4.29736
• Molar Refractivity: 81.3825 cm^3
• Polarizability: 32.351337 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 145 mg/L in water
• Apperance: Amber liquid
• Flash Point: -.4 °F; >100 °C; >212 °F; -18 °C

Safety Information

• RTECS: TB8750000
• European Hazard Symbols: Flammable (F); Nature polluting (N); Highly toxic (T+); Harmful (Xn)
• UN Number: 1145; 2810
• German water hazard class: 2; 3
• Hazard Class: 3; 6.1
• Packing Group: 1; 2
• Risk Statements: 11-38-50/53-65-67; 24-26-28-50/53
• Safety Statements: 28-36/37-45-60-61; 9-16-25-33-60-61-62
• GHS Pictograms: GHS02; GHS06; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• LD50: 15 mg/kg (rat, oral)
• GHS Hazard statements: H225-H304-H315-H336-H410; H300 + H330-H311-H410
• GHS Precautionary statements: P210-P261-P273-P301 + P310-P331-P501; P260-P264-P273-P280-P284-P301 + P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1145 3/PG 2; UN 2810 6.1/PG 1
• Storage Temperature: 2-8°C

Product Information

• Concentration: 100 ng/μL in cyclohexane
• Grade: PESTANAL®, analytical standard
• Description: mixture of cis and trans isomers; mixture of Z and E isomers
• Empirical Formula (Hill Notation): C12H14Cl3O4P

DETAILS

Sigma Aldrich - 36551

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Sigma Aldrich - 45828

Legal Information
PESTANAL is a registered trademark of Sigma-Aldrich Laborchemikalien GmbH

Toronto Research Chemicals - C324360

Insecticide; acaricide.

REFERENCES

• Freitas, E., et al.: Exper. App. Acarol., 53, 189 (2011)
• Riviere, J., et al.: Toxicol. Sci., 119, 224 (2011)