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4-bromo-3-chloro-N-methylbenzamide

HCID 80949292
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Basic information

CAS
1517784-69-8
Standard SMILES
CNC(=O)c1ccc(Br)c(Cl)c1
InChIKey
ZWBIEYWRJPFGOT-UHFFFAOYSA-N
Molecular formula
C8H7BrClNO
Average molar mass
248.5 g/mol
Monoisotopic mass
246.93995

Names & identifiers

Preferred name
4-bromo-3-chloro-N-methylbenzamide
IUPAC
4-bromo-3-chloro-N-methylbenzamide

Names & synonyms

4-bromo-3-chloro-N-methylbenzamide1517784-69-8RefChem:519902868-898-4SKC78469MFCD24018816AKOS019518156DB-380707EN300-246412G52062

Database identifiers

CAS
1517784-69-8
PubChem CID
80949292
EC Number
868-898-4

Properties

Computed structural properties

XLogP
2.5
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
12
Formal charge
0
Complexity
176

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, 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%)

Related reactions

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Compound notes

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