1-Propanone, 2-chloro-2-methyl-1-phenyl-

HCID 81985CAS 7473-99-6

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Basic information

Standard SMILES: CC(C)(Cl)C(=O)c1ccccc1
InChIKey: NUJHTYRNHYOUKO-UHFFFAOYSA-N
Molecular formula: C10H11ClO
Average molar mass: 182.64 g/mol
Monoisotopic mass: 182.04984265

Names & identifiers

Preferred name: 1-Propanone, 2-chloro-2-methyl-1-phenyl-
IUPAC: 2-chloro-2-methyl-1-phenylpropan-1-one
English name: 2-chloro-2-methylpropiophenone
Molecular formula: C10H11ClO
Molecular weight: 182.65

Names & synonyms

7473-99-61-Propanone, 2-chloro-2-methyl-1-phenyl-1-Phenyl-2-chloro-2-methyl-1-propanoneNSC 5668EINECS 231-273-6NSC 401745DTXSID9064714RefChem:436320DTXCID90477082-Chloro-2-methylpropiophenone2-chloro-2-methyl-1-phenylpropan-1-one2-chloro-2-methyl-1-phenyl-1-propanone

Show more names

1-Propanone, 2-chloro-2-methyl-1-phenyl- (9CI)

alpha-chloroisobutyrophenoneNSC-5668NSC-401745CDC25Z3BYJSCHEMBL1445897SCHEMBL28755812NSC5668Propiophenone, 2-chloro-2-methyl-

Database identifiers

CAS: 7473-99-6
PubChem CID: 81985
DTXSID: DTXSID9064714
UNII: CDC25Z3BYJ
EC Number: 231-273-6
Nikkaji: J278.879I

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 12
Formal charge: 0
Complexity: 169

Physicochemical properties

Boiling point: 76 · 76-79 °C(Press: 2 Torr)
Density: 1.104 · 1.104±0.06 g/cm3(Predicted)
FDA UNII: 25 Z3BYJ · CDC25Z3BYJ
EPA Substance Registry System: 1 · 1-Propanone, 2-chloro-2-methyl-1-phenyl- (7473-99-6)
TSCA: TSCA listed