-
Name
2,3-dibromopropylphosphate
- EINECS 226-192-8
- CAS No. 5324-12-9
- Density 2.285g/cm3
- Solubility
- Melting Point
- Formula C3H7Br2O4P
- Boiling Point 393.3°Cat760mmHg
- Molecular Weight 297.89
- Flash Point 191.7°C
- Transport Information
- Appearance
- Safety A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic vapors of POx and Br−.
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms 2,3-Dibromopropyl dihydrogen phosphate;43110-33-4;1-Propanol, 2,3-dibromo-, dihydrogen phosphate, magnesium salt (1:1);1-Propanol, 2,3-dibromo-, dihydrogen phosphate;Phosphoric acid mono(2, 3-dibromopropyl) ester;Mono(2, 3-dibromopropyl)phosphoric acid;2,3-dibromopropoxyphosphonic acid;2,3-dibromopropoxy-dioxido-oxo-phosphorane; magnesium(+2) cation;Phosphoric acid, mono-(2,3-dibromopropyl) ester;2,3-Dibromo-1-propanol dihydrogen phosphate, magnesium salt (1:1);1-PROPANOL, 2,3-DIBROMO-, PHOSPHATE (1:1);PHOSPHORIC ACID, MONO(2,3-DIBROMOPROPYL) ESTER;2,3-DIBROMOPROPYLPHOSPHATE;2,3-DIBROMO-1-PROPANOL DIHYDROGEN PHOSPHATE;
- PSA 76.57000
- LogP 1.25410
Mono(2,3-dibromopropyl)phosphate Chemical Properties
Molecule structure of Mono(2,3-dibromopropyl)phosphate (CAS NO.5324-12-9) :
IUPAC Name: 2,3-dibromopropyl dihydrogen phosphate
Molecular Weight: 297.867041 g/mol
Molecular Formula: C3H7Br2O4P
Density: 2.285 g/cm3
Boiling Point: 393.3 °C at 760 mmHg
Flash Point: 191.7 °C
Index of Refraction: 1.574
Molar Refractivity: 43.05 cm3
Molar Volume: 130.3 cm3
Polarizability: 17.06*10-24 cm3
Surface Tension: 71 dyne/cm
Enthalpy of Vaporization: 70.6 kJ/mol
Vapour Pressure: 2.78E-07 mmHg at 25 °C
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Exact Mass: 297.842824
MonoIsotopic Mass: 295.84487
Topological Polar Surface Area: 66.8
Heavy Atom Count: 10
Complexity: 135
Canonical SMILES: C(C(CBr)Br)OP(=O)(O)O
InChI: InChI=1S/C3H7Br2O4P/c4-1-3(5)2-9-10(6,7)8/h3H,1-2H2,(H2,6,7,8)
InChIKey: GMAAWZONVLTAMA-UHFFFAOYSA-N
EINECS of Mono(2,3-dibromopropyl)phosphate (CAS NO.5324-12-9) : 226-192-8
Mono(2,3-dibromopropyl)phosphate Toxicity Data With Reference
| 1. | mmo-sat 30 µmol/plate | MUREAV Mutation Research. 117 (1983),1. | ||
| 2. | ipr-mus LDLo:250 mg/kg | CBCCT* “Summary Tables of Biological Tests” National Research Council Chemical-Biological Coordination Center. 6 (1954),226. |
Mono(2,3-dibromopropyl)phosphate Safety Profile
A poison by intraperitoneal route. Mutation data reported. When heated to decomposition it emits toxic vapors of POx and Br−.
Mono(2,3-dibromopropyl)phosphate Specification
Mono(2,3-dibromopropyl)phosphate (CAS NO.5324-12-9) is also called 1-Propanol, 2,3-dibromo-, phosphate (1:1) ; 2,3-Dibromo-1-propanol dihydrogen phosphate ; 2,3-Dibromopropyl dihydrogen phosphate ; 2,3-Dibromopropylphosphate ; AI3-19168 ; Mono(2,3-dibromopropyl) phosphate ; Mono(2,3-dibromopropyl)phosphoric acid ; NSC 2862 ; Phosphoric acid, mono(2,3-dibromopropyl) ester .
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