4-Chloro-3',4'-dimethylbutyrophenone

HCID 98742
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Basic information

CAS
74298-66-1
Standard SMILES
Cc1ccc(C(=O)CCCCl)cc1C
InChIKey
UMVFZGUNLWQTHV-UHFFFAOYSA-N
Molecular formula
C12H15ClO
Average molar mass
210.7 g/mol
Monoisotopic mass
210.0811428

Names & identifiers

Preferred name
4-Chloro-3',4'-dimethylbutyrophenone
IUPAC
4-chloro-1-(3,4-dimethylphenyl)butan-1-one
English name
4-Chloro-1-(3,4-dimethylphenyl)-1-butanone
Molecular formula
C12H15ClO
Molecular weight
210.7

Names & synonyms

74298-66-14-chloro-1-(3,4-dimethylphenyl)butan-1-one4-Chloro-3',4'-dimethylbutyrophenone4-CHLORO-1-(3,4-DIMETHYLPHENYL)-1-BUTANONEEINECS 277-806-6NSC163132SCHEMBL5660140DTXSID10225308AKOS009157306NSC 163132NSC-163132DB-055858
Show more names
1-(3,4-Dimethylphenyl)-4-chloro-1-butanone4-Cchloro-1-(3,4-dimethylphenyl)-1-butanone1-Butanone, 4-chloro-1-(3,4-dimethylphenyl)-4-CHLORO-1-(3,4-DIMETHYLPHENYL)-1-BUTANONE99%
NS00037611ST504092481-(3,4-dimethylphenyl)-4-chlorobutan-1-one

Database identifiers

CAS
74298-66-1
PubChem CID
98742
DTXSID
DTXSID10225308
EC Number
277-806-6
Nikkaji
J318.949J

Properties

Computed structural properties

XLogP
3.2
Topological polar surface area
17.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
4
Heavy atoms
14

Physicochemical properties

Melting point
46 · 46-49 °C
Boiling point
151 · 151-154 °C (1 mmHg)
Density
1.0589 · 1.0589 (rough estimate)
refractive index
1.53 · 1.5300 (estimate)
Safety Statements
24 · 24/25

Safety & regulation

Safety data

safety_code
24/25

Chemistry & industry

Suppliers2 total

重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

11 records
New reaction record

Compound notes

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