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CAS Number: 29682-44-8
1-bromo-2,4,5-trichlorobenzene

Structure

 1-bromo-2,4,5-trichlorobenzene
Name: 1-bromo-2,4,5-trichlorobenzene
Synonyms:
General Information
Product Number: 29682448

CAS Registry Number 29682-44-8
Name:
Benzene, 1-?bromo-?2,?4,?5-?trichloro-
1-Bromo-2,4,5-trichlorobenzene
Bromo-2,4,5-trichlorobenzene

 

Chemical Formula: C6H2BrCl3
Exact Mass: 257.84
Molecular Weight: 260.34
m/z: 259.84 (100.0%), 257.84 (51.8%), 261.84 (48.4%), 263.83 (17.1%), 261.83 (15.9%), 260.84 (6.5%), 262.84 (4.2%), 258.84 (3.4%), 265.83 (1.6%), 264.84 (1.1%)

 

InChI:InChI=1S/C6H2BrCl3/c7-3-1-5(9)6(10)2-4(3)8/h1-2H

InChI Key:PHDKZIIWDGIUCG-UHFFFAOYSA-N

Canonical SMILES:C1=C(C(=CC(=C1Cl)Br)Cl)Cl

 

Thermal Properties Value Condition Note
Boiling Point 71 °C Press: 0.098 Torr (1)IC
Melting Point 141.5-142.5 °C Solv: chloroform (67-66-3); ethanol (64-17-5) (1)IC
Melting Point 139 °C   (2)CAS

Specification

98%
References
  1. (1) Urban, Jiri; Collection of Czechoslovak Chemical Communications 1984, V49(4), P992-100 CAPLUS
  2. (2) Riemschneider, Randolph; DE 947305 1956 CAPLUS
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