-
Name
Phosphoric acid dimethyl 2-chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl ester
- EINECS
- CAS No. 34491-04-8
- Density 1.3g/cm3
- Solubility
- Melting Point
- Formula C7H13ClNO5P
- Boiling Point 378.2°Cat760mmHg
- Molecular Weight 257.63
- Flash Point 182.5°C
- Transport Information
- Appearance
- Safety Poison by ingestion and subcutaneous routes. When heated to decomposition it emits very toxic Cl−, NOx, and POx. See also ESTERS.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Phosphoric acid,dimethyl ester,ester with 2-chloro-N-methyl-3-hydroxycrotonamide;2-Chlor-3-dimethoxyphosphoryloxy-crotonsaeure-methylamid;C-768;Ciba C-768;
- PSA 87.16000
- LogP 2.46050
2-Chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate Chemical Properties
Empirical Formula of 2-Chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate (CAS NO.34491-04-8): C7H13ClNO5P
Molecular Weight: 257.6086
Index of Refraction: 1.467
Density: 1.3 g/cm3
Flash Point: 182.5 °C
Enthalpy of Vaporization: 62.6 kJ/mol
Boiling Point: 378.2 °C at 760 mmHg
Vapour Pressure: 6.41E-06 mmHg at 25 °C
Structure of 2-Chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate (CAS NO.34491-04-8):
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IUPAC Name: [[(E)-3-Chlorobut-2-enoyl]amino]methyl dimethyl phosphate
Canonical SMILES: CC(=CC(=O)NCOP(=O)(OC)OC)Cl
Isomeric SMILES: C/C(=C\C(=O)NCOP(=O)(OC)OC)/Cl
InChI: InChI=1S/C7H13ClNO5P/c1-6(8)4-7(10)9-5-14-15(11,12-2)13-3/h4H,5H2,1-3H3,(H,9,10)/b6-4+
InChIKey: ISVQLTLOWMKMRM-GQCTYLIASA-N
2-Chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate Toxicity Data With Reference
| 1. | orl-rat LD50:33 mg/kg | ARSIM* Agricultural Research Service, USDA Information Memorandum. 20 (1966),7. | ||
| 2. | orl-gpg LDLo:100 mg/kg | JEENAI Journal of Economic Entomology. 62 (4)(1969),934. | ||
| 3. | scu-gpg LDLo:50 mg/kg | JEENAI Journal of Economic Entomology. 62 (4)(1969),934. |
2-Chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate Safety Profile
Poison by ingestion and subcutaneous routes. When heated to decomposition 2-Chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate (CAS NO.34491-04-8) emits very toxic Cl−, NOx, and POx. See also ESTERS.
2-Chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate Specification
2-Chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl phosphate , its cas register number is 34491-04-8. It also can be called Ciba C-768 ; AI3-27357 ; Phosphoric acid, dimethyl ester, ester with 2-chloro-N-methyl-3-hydroxycrotonamide ; and Phosphoric acid, 2-chloro-1-methyl-3-(methylamino)-3-oxo-1-propenyl dimethyl ester .
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