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4-Bromo-2-chloroquinoline

HCID 12759113
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Basic information

CAS
83674-64-0
Standard SMILES
Clc1cc(Br)c2ccccc2n1
InChIKey
QGLVHVGCUXYOAN-UHFFFAOYSA-N
Molecular formula
C9H5BrClN
Average molar mass
242.5 g/mol
Monoisotopic mass
240.92939

Names & identifiers

Preferred name
4-Bromo-2-chloroquinoline
IUPAC
4-bromo-2-chloroquinoline
English name
4-Bromo-2-chloroquinoline
Molecular formula
C9H5BrClN
Molecular weight
242.5

Names & synonyms

4-BROMO-2-CHLOROQUINOLINE83674-64-0SCHEMBL28494434DTXSID90509153AB62586SY405087Quinoline, 4-bromo-2-chloro-

Database identifiers

CAS
83674-64-0
PubChem CID
12759113
DTXSID
DTXSID90509153
EC Number
116-188-3

Properties

Computed structural properties

XLogP
3.8
Topological polar surface area
12.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
12
Formal charge
0
Complexity
165

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

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Chemistry & industry

Upstream & downstream products

Downstream products

2-Chloroquinoline-4-carboxylic acid

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Compound notes

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