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Basic Information
CAS No.: 5412-25-9
Name: BIS(2,3-DIBROMOPROPYL) PHOSPHATE
Molecular Structure:
Molecular Structure of 5412-25-9 (BIS(2,3-DIBROMOPROPYL) PHOSPHATE)
Formula: C6H11 Br4 O4 P
Molecular Weight: 497.741
Synonyms: 1-Propanol,2,3-dibromo-, hydrogen phosphate (8CI,9CI); Bis(2,3-dibromopropyl) hydrogenphosphate; Bis(2,3-dibromopropyl) phosphate; NSC 3239
Density: 2.31g/cm3
Boiling Point: 457.7°Cat760mmHg
Flash Point: 230.6°C
Safety: Mutation data reported. When heated to decomposition it emits toxic fumes of Br− and POx.
PSA: 65.57000
LogP: 3.43680
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Chemistry

Product Name: Bis(2,3-dibromopropyl)phosphate (CAS NO.5412-25-9)


Molecular Formula: C6H11Br4O4P
Molecular Weight: 497.74g/mol
Mol File: 5412-25-9.mol
Einecs: 226-493-4
Boiling point: 457.7 °C at 760 mmHg
Flash Point: 230.6 °C
Density: 2.31 g/cm3
Surface Tension: 61.1 dyne/cm
Enthalpy of Vaporization: 78.67 kJ/mol
Vapour Pressure: 1.19E-09 mmHg at 25°C
XLogP3-AA: 2.2
H-Bond Donor: 1
H-Bond Acceptor: 4
IUPAC Name: bis(2,3-dibromopropyl) hydrogen phosphate
Canonical SMILES: C(C(CBr)Br)OP(=O)(O)OCC(CBr)Br
InChI: InChI=1S/C6H11Br4O4P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-6H,1-4H2,
(H,11,12) 
InChIKey: CBPKIOGAUWKEFT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

mmo-sat 50 µmol/plate

     APTOA6    Acta Pharmacologica et Toxicologica. 51 (1972),76.
2.    

mma-sat 25 nmol/plate

     TXAPA9    Toxicology and Applied Pharmacology. 63 (1982),105.
3.    

msc-ham:lng 20 µmol/L

     MUREAV    Mutation Research. 124 (1983),213.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Mutation data reported. When heated to decomposition it emits toxic fumes of Br− and POx.

Specification

 Bis(2,3-dibromopropyl)phosphate ,its CAS NO. is 5412-25-9,the synonyms is AI3-19169 ; BRN 1712420 ; Bis(2,3-dibromopropyl) hydrogen phosphate ; Bis(2,3-dibromopropyl)phosphoric acid ; CCRIS 813 ; EINECS 226-493-4 ; NSC 3239 ; 1-Propanol, 2,3-dibromo-, 1,1'-(hydrogen phosphate) ; 1-Propanol, 2,3-dibromo-, hydrogen phosphate .