1-Propanone, 2-chloro-2-methyl-1-phenyl-
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Basic information
- CAS
7473-99-6- 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 propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 17.1 Ų
- 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
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanone, 2-chloro-2-methyl-1-phenyl-: INACTIVE
Upstream & downstream products
Downstream products
Related reactions
3 records
Compound notes
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