2-(4-Bromophenyl)cyclopropanecarboxylic acid

HCID 301541

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Basic information

CAS: 6142-65-0
Standard SMILES: O=C(O)C1CC1c1ccc(Br)cc1
InChIKey: DPBUJVBXRABXRH-UHFFFAOYSA-N
Molecular formula: C10H9BrO2
Average molar mass: 241.08 g/mol
Monoisotopic mass: 239.97859

Names & identifiers

Preferred name: 2-(4-Bromophenyl)cyclopropanecarboxylic acid
IUPAC: 2-(4-bromophenyl)cyclopropane-1-carboxylic acid
English name: (1R,2R)-2-(4-bromophenyl)cyclopropanecarboxylic acid
Molecular formula: C10H9BrO2
Molecular weight: 241.08

Names & synonyms

2-(4-bromophenyl)cyclopropanecarboxylic acid77255-26-62-(4-bromophenyl)cyclopropane-1-carboxylic acidMFCD031962802-(4-BROMOPHENYL)CYCLOPROPANECARBOXYLICACIDChemDiv2_001621MLS000043500SCHEMBL455245CHEMBL1487919REGID_for_CID_301541DTXSID30976981DPBUJVBXRABXRH-UHFFFAOYSA-N

Show more names

Trans-2-(4-Bromophenyl)Cyclopropanecarboxylic Acid(cis)-2-(4-bromophenyl)cyclopropanecarboxylic acid(1R,2R)-2-(4-bromophenyl)cyclopropanecarboxylic acidTrans-2-(4-bromophenyl)cyclopropane-1-carboxylic acidrel-(1R,2R)-2-(4-Bromophenyl)cyclopropanecarboxylic acidTrans-2-(4-Bromophenyl)Cyclopropanecarboxylic Acid(WXC03808)2-(4-bromophenyl)cyclopropane-1-carboxylic Acid, (1R,2R)-relCyclopropanecarboxylic acid, 2-(4-bromophenyl)-, (1R,2R)-rel-rac-(1R,2R)-2-(4-bromophenyl)cyclopropane-1-carboxylic acid, transtrans-(1S,2S)/(1R,2R)-2-(4-bromophenyl)cyclopropanecarboxylic acid

HMS1373J15HMS2168I21HMS3320O07CDA25526NSC179404SBB084075AKOS004115409AKOS016042123

Database identifiers

CAS: 6142-65-0
PubChem CID: 301541
DTXSID: DTXSID30976981
ChEMBL: CHEMBL1487919

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 37.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 209

Physicochemical properties

Melting point: 118 · 118-120 °C(Solv: cyclohexane (110-82-7); benzene (71-43-2))
Boiling point: 364.5 · 364.5±42.0 °C(Predicted)
Density: 1.652 · 1.652±0.06 g/cm3(Predicted)
storage temp.: Store at room temperature
pka: 4.53 · 4.53±0.10(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P