1-Propanone, 1-(3-bromophenyl)-

HCID 88272

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Basic information

CAS: 19829-31-3
Standard SMILES: CCC(=O)c1cccc(Br)c1
InChIKey: QSHLXVTVXQTHBS-UHFFFAOYSA-N
Molecular formula: C9H9BrO
Average molar mass: 213.074 g/mol
Monoisotopic mass: 211.98367701

Names & identifiers

Preferred name: 1-Propanone, 1-(3-bromophenyl)-
IUPAC: 1-(3-Bromophenyl)propan-1-one
English name: 3'-Bromopropiophenone
Molecular formula: C9H9BrO
Molecular weight: 213.07

Names & synonyms

1-(3-bromophenyl)propan-1-one3-BROMOPROPIOPHENONEM-BROMOPROPIOPHENONE3'-BromopropiophenoneLABOTEST-BB LT01143368Bupropion MBPP Impurity3'-Bromopropiophenone >3'-Bromopropiophenone,98%3''-BROMOPROPIOPHENONE 98%3-bromophenyl ethyl ketone

Database identifiers

CAS: 19829-31-3
PubChem CID: 88272
DTXSID: DTXSID5066536
UNII: 87RBK6TN9W
EC Number: 243-353-8
Nikkaji: J225.298H

Properties

Physicochemical properties

Melting point: 39 · 39-41 °C(lit.)
Boiling point: 144 · 144-145°C 20mm
Density: 1.3841 · 1.3841 (rough estimate)
refractive index: 1.546 · 1.5460 (estimate)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
solubility: Chloroform, Methanol (Slightly)
form: powder to crystal
color: White to Orange to Green
BRN: 1936736 · 1936736
InChI: 1S/C9H9BrO/c1-2-9(11)7-4-3-5-8(10)6-7/h3-6H,2H2,1H3
InChIKey: QSHLXVTVXQTHBS-UHFFFAOYSA-N
SMILES: CCC(=O)c1cccc(Br)c1
CAS DataBase Reference: 19829 · 19829-31-3(CAS DataBase Reference)
FDA UNII: 87 RBK6TN9W · 87RBK6TN9W
EPA Substance Registry System: 1 · 1-Propanone, 1-(3-bromophenyl)- (19829-31-3)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 280 g-P305+P351+P338 · P280g-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29147000 · 29147000
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
hs_code: 29147000
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319
Precautionary statements: P280g-P305+P351+P338

Chemistry & industry

Applications

Uses3′-Bromopropiophenone was used in the synthesis of o-, m- and p- isomers of (±)-2-[3-(hydroxybenzoyl)phenyl] propanoic acid. It was also used in the synthesis of 2-(methylamino)-1-(3-bromophenyl)propan-1-one.