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1-Bromo-2-chlorobenzene

HCID 12754
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
28906-38-9
Standard SMILES
Clc1ccccc1Br
InChIKey
QBELEDRHMPMKHP-UHFFFAOYSA-N
Molecular formula
C6H4BrCl
Average molar mass
191.45 g/mol
Monoisotopic mass
189.91848991

Names & identifiers

Preferred name
1-Bromo-2-chlorobenzene
IUPAC
1-bromo-2-chlorobenzene
English name
2-Bromochlorobenzene
Molecular formula
C6H4BrCl
Molecular weight
191.45296

Names & synonyms

1-Bromo-2-chlorobenzene2-BROMOCHLOROBENZENEo-BromochlorobenzeneBenzene, 1-bromo-2-chloro-UNII-PEC7Z3YX6PPEC7Z3YX6P2-chlorophenyl bromideEINECS 211-775-1NSC 59694NSC-59694O-BROMOPHENYL CHLORIDE2-BROMOPHENYL CHLORIDE
Show more names
AI3-31290DTXSID30870758RefChem:75064DTXCID70818452InChI=1/C6H4BrCl/c7-5-3-1-2-4-6(5)8/h1-4QBELEDRHMPMKHP-UHFFFAOYSA-N694-80-42-Chlorobromobenzene

Database identifiers

CAS
28906-38-9、694-80-4
PubChem CID
12754
DTXSID
DTXSID30870758
UNII
PEC7Z3YX6P
EC Number
211-775-1、249-303-1
Nikkaji
J91.317K

Properties

Computed structural propertiesFilling in

XLogP
3.2
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
0
Rotatable bonds
0
Heavy atoms
8
Formal charge
0
Complexity
74.9

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity
LogP3.83

Physicochemical properties

Melting point
-12.3 °C · -12.3 °C
Boiling point
204 °C · 204 °C
Density
1.6444 g/cm3 · 1.6444 g/cm3(Temp: 20.4 °C)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 53 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information1-Bromo-2-chlorobenzene: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H319
Precautionary statements
P264-P280-P302+P352-P305+P351+P338-P332+P313-P337+P313

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzene, 1-bromo-2-chloro-: ACTIVE

Related reactions

48 records
New reaction record
HRID 504 reaction equation
HRID 504As reactant750 AstraZeneca ELN dataset
HRID 505 reaction equation
HRID 505As reactant750 AstraZeneca ELN dataset
HRID 705 reaction equation
HRID 705As reactant750 AstraZeneca ELN dataset
HRID 119064 reaction equation
HRID 119064As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 135778 reaction equation
HRID 135778As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)
HRID 175662 reaction equation
HRID 175662As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 179491 reaction equation
HRID 179491As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 183704 reaction equation
HRID 183704As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
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Compound notes

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