CAS 22019-50-7 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one (HCID 3800422)

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Basic information

CAS: 22019-50-7
Standard SMILES: Cc1ccc(C(=O)CBr)cc1[N+](=O)[O-]
InChIKey: DBMCVOBHUPAOMT-UHFFFAOYSA-N
Molecular formula: C9H8BrNO3
Average molar mass: 258.07 g/mol
Monoisotopic mass: 256.96875522

Names & identifiers

Preferred name: 2-Bromo-1-(4-methyl-3-nitrophenyl)ethan-1-one
IUPAC: 2-bromo-1-(4-methyl-3-nitrophenyl)ethanone
English name: 2-bromo-3-nitro-4-methylacetophenone
Molecular formula: C9H8BrNO3
Molecular weight: 258.07

Names & synonyms

2-bromo-1-(4-methyl-3-nitrophenyl)ethan-1-oneRefChem:465964845-766-422019-50-72-bromo-1-(4-methyl-3-nitrophenyl)ethanone2-Bromo-1-(4-methyl-3-nitro-phenyl)-ethanoneMFCD039642032-bromo-3-nitro-4-methylacetophenone2-bromo-1-(3-nitro-4-methylphenyl)ethanoneSCHEMBL2054452DTXSID00396596DBMCVOBHUPAOMT-UHFFFAOYSA-N

Show more names

Ethanone, 2-bromo-1-(4-methyl-3-nitrophenyl)-

XAA01950AKOS000116675BP-20193SY132920CS-03075712-bromo-1-(4-methyl-3-nitro-phenyl)ethanoneEN300-02057G88740

Database identifiers

CAS: 22019-50-7
PubChem CID: 3800422
DTXSID: DTXSID00396596
EC Number: 845-766-4

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 62.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 2
Heavy atoms: 14
Formal charge: 0
Complexity: 239

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 315 · H315-H335-H302-H318
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H315-H335-H302-H318
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310