CAS 139194-80-2 1-Bromo-3-(bromomethyl)-5-nitrobenzene (HCID 14866973)

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Basic information

CAS: 139194-80-2
Standard SMILES: O=[N+]([O-])c1cc(Br)cc(CBr)c1
InChIKey: LUTXVMDOMLHNIX-UHFFFAOYSA-N
Molecular formula: C7H5Br2NO2
Average molar mass: 294.93 g/mol
Monoisotopic mass: 292.8687026

Names & identifiers

Preferred name: 1-Bromo-3-(bromomethyl)-5-nitrobenzene
IUPAC: 1-bromo-3-(bromomethyl)-5-nitrobenzene
English name: 1-BROMO-3-(BROMOMETHYL)-5-NITROBENZENE
Molecular formula: C7H5Br2NO2
Molecular weight: 294.93

Names & synonyms

139194-80-21-BROMO-3-(BROMOMETHYL)-5-NITROBENZENEDTXSID90564823RefChem:228468DTXCID10515599968-167-03-Bromo-5-nitrobenzyl bromideBenzene, 1-bromo-3-(bromomethyl)-5-nitro-3-Bromo-5-(bromomethyl)nitrobenzeneMFCD110402303-Bromo-5-nitrobenzylbromideSCHEMBL602087

Show more names

1-Bromo-3-(bromomethyl)-5-nitrobenzene, 3-Bromo-5-(bromomethyl)nitrobenzene

SCHEMBL29735419LUTXVMDOMLHNIX-UHFFFAOYSA-NPFA19480AKOS028114035PS-98601-bromo-3-(bromomethyl)-5-nitro-benzeneSY326728DB-092991

Database identifiers

CAS: 139194-80-2
PubChem CID: 14866973
DTXSID: DTXSID90564823
EC Number: 968-167-0

Properties

Computed structural properties

XLogP: 3
Topological polar surface area: 45.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 171

Physicochemical properties

form: powder
color: Pale gold
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280
HS Code: 2904990090 · 2904990090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.