Basic information
- Standard SMILES
O=C(CCCCl)c1ccccc1- InChIKey
GHEFQKHLHFXSBR-UHFFFAOYSA-N- Molecular formula
- C10H11ClO
- Average molar mass
- 182.64 g/mol
- Monoisotopic mass
- 182.04984265
Names & identifiers
- Preferred name
- 4-Chlorobutyrophenone
- IUPAC
- 4-chloro-1-phenylbutan-1-one
Names & synonyms
4-Chlorobutyrophenone939-52-6gamma-Chlorobutyrophenone.gamma.-Chlorobutyrophenone1-Butanone, 4-chloro-1-phenyl-.omega.-ChlorobutyrophenoneNSC 76579omega-ChlorobutyrophenoneRefChem:98569213-362-1EINECS 213-362-1GHEFQKHLHFXSBR-UHFFFAOYSA-N
Show more names
4-chloro-1-phenylbutan-1-one4-chloro-1-oxo-1-phenylbutaneMFCD000010054-Chloro-1-phenyl-1-butanoneNSC76579Chlorpropylphenylketon4-chlorobutyrylbenzene4-chlorobutyro-phenone
Database identifiers
- CAS
939-52-6- PubChem CID
- 253533
- DTXSID
DTXSID10917236- UNII
- QR9PK9JWG3
- EC Number
- 213-362-1
- Nikkaji
- J46.486D
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Warning
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
Related reactions
88 records
Linked notes
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