-
Name
bis(2-chloroethyl) 4-methyl-2-oxo-2H-chromen-7-yl phosphate
- EINECS
- CAS No. 4394-77-8
- Density 1.42g/cm3
- Solubility
- Melting Point
- Formula C14H15Cl2O6P
- Boiling Point 481.3°Cat760mmHg
- Molecular Weight 381.16
- Flash Point 408.6°C
- Transport Information
- Appearance
- Safety A poison by ingestion. When heated to decomposition it emits toxic vapors of POx and Cl−.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Coumarin, 7-hydroxy-4-methyl-, bis(2-chloroethyl) phosphate Chemical Properties
The Molecular Structure of Coumarin, 7-hydroxy-4-methyl-, bis(2-chloroethyl) phosphate (CAS NO.4394-77-8):
Molecular Formula: C14H15Cl2O6P
Molecular Weight: 381.145061 g/mol
Index of Refraction: 1.547
Molar Refractivity: 85.11 cm3
Molar Volume: 268.2 cm3
Surface Tension: 49.2 dyne/cm
Density: 1.42 g/cm3
Flash Point: 408.6 °C
Enthalpy of Vaporization: 74.6 kJ/mol
Boiling Point: 481.3 °C at 760 mmHg
Vapour Pressure: 2.01E-09 mmHg at 25°C
InChI
InChI=1/C14H15Cl2O6P/c1-10-8-14(17)21-13-9-11(2-3-12(10)13)22-23(18,19-6-4-15)20-7-5-16/h2-3,8-9H,4-7H2,1H3
Smiles
c12c(ccc(c1)OP(OCCCl)(OCCCl)=O)c(cc(o2)=O)C
The IUPAC of Coumarin, 7-hydroxy-4-methyl-, bis(2-chloroethyl) phosphate (CAS NO.4394-77-8) is bis(2-chloroethyl) (4-methyl-2-oxochromen-7-yl) phosphate .
Coumarin, 7-hydroxy-4-methyl-, bis(2-chloroethyl) phosphate Toxicity Data With Reference
| 1. | orl-rat LD50:141 mg/kg | BCPCA6 Biochemical Pharmacology. 16 (1967),1183. | ||
| 2. | orl-ckn LD50:>1250 mg/kg | BCPCA6 Biochemical Pharmacology. 16 (1967),1183. |
Coumarin, 7-hydroxy-4-methyl-, bis(2-chloroethyl) phosphate Safety Profile
A poison by ingestion. When heated to decomposition it emits toxic vapors of POx and Cl−.
Coumarin, 7-hydroxy-4-methyl-, bis(2-chloroethyl) phosphate Specification
Coumarin, 7-hydroxy-4-methyl-, bis(2-chloroethyl) phosphate (CAS NO.4394-77-8) is also called as 86H 60 ; Phosphoric acid, bis(2-chloroethyl) 4-methyl-2-oxo-2H-1-benzopyran-7-yl ester (9CI) .
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