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18860-95-2

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Basic Information
CAS No.: 18860-95-2
Name: (2E)-1,4-dibromo-2-methylbut-2-ene
Article Data: 9
Molecular Structure:
Molecular Structure of 18860-95-2 ((2E)-1,4-dibromo-2-methylbut-2-ene)
Formula: C5H8Br2
Molecular Weight: 227.927
Synonyms: 1,4-dibromo-2-methyl-but-2-ene;Isoprene dibromide;1,4-Dibromoisoprene;1,4-Dibrom-2-methyl-but-2-en;1,4-Dibromo-2-methyl-2-butene;dibromoisoprene;2-Butene,1,4-dibromo-2-methyl;
Density: 1.741g/cm3
Boiling Point: 214.5°C at 760 mmHg
Flash Point: 86.4°C
Safety: A poison by inhalation. When heated to decomposition it emits toxic vapors of Br−.
PSA: 0.00000
LogP: 2.72250
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Chemistry

Empirical Formula of Isoprene dibromide (CAS NO.18860-95-2): C5H8Br2
Molecular Weight: 227.925 g/mol
Index of Refraction: 1.532
Density: 1.741 g/cm3
Flash Point: 86.4 °C
Enthalpy of Vaporization: 43.25 kJ/mol
Boiling Point: 214.5 °C at 760 mmHg
Vapour Pressure: 0.227 mmHg at 25 °C
Structure of Isoprene dibromide (CAS NO.18860-95-2):
                              
IUPAC Name: (E)-1,4-Dibromo-2-methylbut-2-ene
Canonical SMILES: CC(=CCBr)CBr
Isomeric SMILES: C/C(=C\CBr)/CBr
InChI: InChI=1S/C5H8Br2/c1-5(4-7)2-3-6/h2H,3-4H2,1H3/b5-2+
InChIKey: HICPKHPJQJZCFP-GORDUTHDSA-N

Toxicity Data With Reference

1.    

ihl-rat LC50:2100 ppb/4H

     TOXID9    Toxicologist. 3 (1983),25.
2.    

ihl-mus LC50:5500 ppb/4H

     TOXID9    Toxicologist. 3 (1983),25.

Safety Profile

A poison by inhalation. When heated to decomposition Isoprene dibromide (CAS NO.18860-95-2) emits toxic vapors of Br−.

Specification

 Isoprene dibromide , its cas register number is 18860-95-2. It also can be called 1,4-Dibromoisoprene ; and 1,4-Dibromo-2-methyl-2-butene .