Basic information
- CAS
72825-30-0- Standard SMILES
O=C(CCl)c1ccc(C2CCCCC2)cc1- InChIKey
JQBRUWGVDKLWGP-UHFFFAOYSA-N- Molecular formula
- C14H17ClO
- Average molar mass
- 236.73 g/mol
- Monoisotopic mass
- 236.09679284
Names & identifiers
- Preferred name
- 2-Chloro-1-(4-cyclohexylphenyl)ethanone
- IUPAC
- 2-chloro-1-(4-cyclohexylphenyl)ethanone
- English name
- 2-CHLORO-1-(4-CYCLOHEXYL-PHENYL)-ETHANONE
- Molecular formula
- C14H17ClO
- Molecular weight
- 236.74
Names & synonyms
72825-30-02-chloro-1-(4-cyclohexylphenyl)ethanone2-Chloro-1-(4-cyclohexyl-phenyl)-ethanone2-chloro-1-(4-cyclohexylphenyl)ethan-1-oneMFCD039809964-cyclohexylphenacyl chlorideSCHEMBL11186282DTXSID70368265JQBRUWGVDKLWGP-UHFFFAOYSA-NXCA82530STL444363AKOS000200879
Show more names
Ethanone, 2-chloro-1-(4-cyclohexylphenyl)-
CS-0219832EN300-05060G38499Z56910457
Database identifiers
- CAS
72825-30-0- PubChem CID
- 2363723
- DTXSID
DTXSID70368265- EC Number
- 127-308-9
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- Melting point
- 47 · 47-49 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 363.7 · 363.7±25.0 °C(Predicted)
- Density
- 1.108 · 1.108±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
2 records
Compound notes
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