alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride

HCID 595157

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Basic information

CAS: 34715-60-1
Standard SMILES: CC(C)Cc1ccc(C(C)C(=O)Cl)cc1
InChIKey: QXVRLFIKHYCFJS-UHFFFAOYSA-N
Molecular formula: C13H17ClO
Average molar mass: 224.72 g/mol
Monoisotopic mass: 224.09679284

Names & identifiers

Preferred name: alpha-Methyl-4-(2-methylpropyl)benzeneacetyl chloride
IUPAC: 2-[4-(2-methylpropyl)phenyl]propanoyl chloride
English name: 2-(p-isobutylphenyl)propionyl chloride
Molecular formula: C13H17ClO
Molecular weight: 224.73

Names & synonyms

34715-60-12-(p-Isobutylphenyl)propionyl chloridealpha-Methyl-4-(2-methylpropyl)benzeneacetyl chlorideRefChem:1076527252-165-52-(4-Isobutylphenyl)propanoyl chloride2-[4-(2-methylpropyl)phenyl]propanoyl chloride2-[4-(Isobutyl)phenyl]propionyl chlorideMFCD017648002-(4-isobutylphenyl)propionic acid chlorideEINECS 252-165-5alpha-Methyl-4-isobutylbenzeneacetic acid chloride

Show more names

α-Methyl-4-isobutylbenzeneacetic acid chlorideα-Methyl-4-(2-methylpropyl)benzeneacetyl chlorideBenzeneacetyl chloride,a-methyl-4-(2-methylpropyl)-Benzeneacetyl chloride, α-methyl-4-(2-methylpropyl)-α-Methyl-4-(2-methylpropyl)benzeneacetic acid chloride

2-[4-(2-Methylpropyl)phenyl]propanoic acid chlorideSCHEMBL1028462alpha-Methyl-4-(2-methylpropyl)benzeneacetic acid chlorideDTXSID609561902-(4-isobutylphenyl)propionyl chloride2-(4-Isobutylphenyl)propanoyl chloride #SY2295222-(p-isobutylphenyl)propionic acid chloride

Database identifiers

CAS: 34715-60-1
PubChem CID: 595157
DTXSID: DTXSID60956190
EC Number: 252-165-5
Nikkaji: J250.959H

Properties

Computed structural properties

XLogP: 4.5
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 205

Physicochemical properties

Melting point: 118 · 118-119 °C(Solv: benzene (71-43-2))
Boiling point: 66 · 66-68 °C(Press: 1.9e-3 Torr)
Density: 1.049 · 1.049±0.06 g/cm3(Predicted)
HS Code: 2916399090 · 2916399090

Safety & regulation

Safety data

hs_code: 2916399090

Chemistry & industry

Applications

Uses2-(4-Isobutylphenyl)propanoyl Chloride is an intermediate in synthesizing rac Ibuproxam (I140200), a poorly water-soluble anti-inflammatory drug.