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61203-01-8

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Basic Information
CAS No.: 61203-01-8
Name: 3-bromobut-3-en-2-one
Article Data: 21
Molecular Structure:
Molecular Structure of 61203-01-8 (3-bromobut-3-en-2-one)
Formula: C4H5BrO
Molecular Weight: 148.987
Synonyms: 3-BUTEN-2-ONE,3-BROMO;3-Bromo-3-buten-2-one;3-bromobuten-2-one;3-bromo-3-vinyl methyl ketone;3-bromo-but-3-en-2-one;Methyl-1-bromovinyl ketone;3-Brom-but-3-en-2-on;
Density: 1.493g/cm3
Boiling Point: 165.9°Cat760mmHg
Flash Point: 86.6°C
Safety: Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of Br−.
PSA: 17.07000
LogP: 1.48400
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Chemistry

The Molecular Structure of Methyl 1-bromovinyl ketone (CAS NO.61203-01-8):
Molecular Formula: C4H5BrO
Molecular Weight: 148.985900 g/mol
IUPAC: 3-bromobut-3-en-2-one
ACD/LogD (pH 5.5): 0.36
ACD/LogD (pH 7.4): 0.36
ACD/BCF (pH 5.5): 1.1
ACD/BCF (pH 7.4): 1.1
ACD/KOC (pH 5.5): 37.3
ACD/KOC (pH 7.4): 37.3
Polar Surface Area: 17.07 ?2
Index of Refraction: 1.471
Molar Refractivity: 27.9 cm3
Molar Volume: 99.7 cm3
Surface Tension: 30.1 dyne/cm
Density: 1.493 g/cm3
Flash Point: 86.6 °C
Enthalpy of Vaporization: 40.24 kJ/mol
Boiling Point: 165.9 °C at 760 mmHg
Vapour Pressure: 1.83 mmHg at 25°C

Toxicity Data With Reference

1.    

mmo-sat 5 µmol/plate

     MUTAEX    Mutagenesis. 2 (1987),287.

Safety Profile

Mutation data reported. A flammable liquid. When heated to decomposition it emits toxic vapors of Br−.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 Methyl 1-bromovinyl ketone (CAS NO.61203-01-8) is also called as 3-Bromo-3-buten-2-one ; 4-01-00-03446 (Beilstein Handbook Reference) ; BRN 1738108 ; CCRIS 1619 ; 3-Buten-2-one, 3-bromo- ; Methyl-1-bromovinyl ketone .