CAS 187657-92-7 1-(Benzofuran-3-yl)-2-bromoethanone (HCID 2776580)

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Basic information

CAS: 187657-92-7
Standard SMILES: O=C(CBr)c1coc2ccccc12
InChIKey: WVHFTONHSRLBGL-UHFFFAOYSA-N
Molecular formula: C10H7BrO2
Average molar mass: 239.06 g/mol
Monoisotopic mass: 237.96294156

Names & identifiers

Preferred name: 1-(Benzofuran-3-yl)-2-bromoethanone
IUPAC: 1-(1-benzofuran-3-yl)-2-bromoethanone
English name: 1-(1-BENZOFURAN-3-YL)-2-BROMO-1-ETHANONE
Molecular formula: C10H7BrO2
Molecular weight: 239.07

Names & synonyms

187657-92-71-(Benzofuran-3-yl)-2-bromoethanone1-(1-Benzofuran-3-yl)-2-bromo-1-ethanone1-(benzofuran-3-yl)-2-bromoethan-1-one1-(1-benzofuran-3-yl)-2-bromoethanone1-(1-benzofuran-3-yl)-2-bromoethan-1-oneMFCD03407369(1-Benzofuran-3-yl)-2-bromo-1-ethanoneSCHEMBL19036883-(2-bromoacetyl)benzo[b]furanDTXSID90380202WVHFTONHSRLBGL-UHFFFAOYSA-N

Show more names

Ethanone, 1-(3-benzofuranyl)-2-bromo-2,4-Bis(methylsulfonyl)phenylhydrazineN-(4-methylsulfonylphenyl)methanesulfonohydrazide

MHA657921-benzofuran-3-yl-2-bromo-ethanoneSBB099037AKOS0052158471-(benzofuran-3-yl)-2-bromo-ethanoneAS-314251-benzo[b]furan-3-yl-2-bromoethan-1-oneDB-017000

Database identifiers

CAS: 187657-92-7
PubChem CID: 2776580
DTXSID: DTXSID90380202
Nikkaji: J2.646.495A

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 30.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 205

Physicochemical properties

Melting point: 136 °C · 136 °C
Boiling point: 306.8 · 306.8±17.0 °C(Predicted)
Density: 1.582 · 1.582±0.06 g/cm3(Predicted)
form: crystalline powder
color: Yellow to light brown
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 312 · H312-H314-H412-H290
Precautionary statements: 501 · P501-P273-P234-P264-P280-P390-P362+P364-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P406-P405
Hazard Codes: C,Xi
Risk Statements: 36 · 36/37/38-34
Safety Statements: 26 · 26-36/37/39-45
Hazard Note: Corrosive
HazardClass: IRRITANT
HS Code: 2932990090 · 2932990090

Safety & regulation

Safety data

hs_code: 2932990090
risk_code: 36/37/38-34
Signal word: Danger
Symbol(GHS): GHS05,GHS07
hazard_code: C,Xi
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: IRRITANT
Hazard statements: H312-H314-H412-H290
Precautionary statements: P501-P273-P234-P264-P280-P390-P362+P364-P303+P361+P353-P301+P330+P331-P304+P340+P310-P305+P351+P338+P310-P406-P405