Basic information
- CAS
946-01-0- Standard SMILES
O=C(CCCCCCl)c1ccccc1- InChIKey
DRIUYSZHJOMWHB-UHFFFAOYSA-N- Molecular formula
- C12H15ClO
- Average molar mass
- 210.7 g/mol
- Monoisotopic mass
- 210.08114278
Names & identifiers
- Preferred name
- 6-Chloro-1-phenyl-1-hexanone
- IUPAC
- 6-chloro-1-phenylhexan-1-one
- English name
- 6-Chloro-1-oxo-1-phenylhexane
- Molecular formula
- C12H15ClO
- Molecular weight
- 210.7
Names & synonyms
946-01-06-chloro-1-phenyl-1-hexanoneRefChem:10738566-CHLORO-1-OXO-1-PHENYLHEXANE6-chloro-1-phenylhexan-1-oneMFCD006720476-chloro-1-phenyl-hexan-1-one4-Chlorobutylacetophenone5-chloropentyl phenyl ketoneSCHEMBL633401DTXSID90400414DRIUYSZHJOMWHB-UHFFFAOYSA-N
Show more names
ε-chlorohexanophenone1-Hexanone, 6-chloro-1-phenyl-
AKOS016019592MS-20934ST51000086F203615
Database identifiers
- CAS
946-01-0- PubChem CID
- 4182730
- DTXSID
DTXSID90400414- Nikkaji
- J658.639B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 162
Physicochemical properties
- Melting point
- 29 · 29-30 °C
- Boiling point
- 128 · 128-129 °C(Press: 2 Torr)
- Density
- 1.062 · 1.062±0.06 g/cm3(Predicted)
- Symbol(GHS)
- 6 · GHS06,GHS08
- Signal word
- Danger
- Hazard statements
- 301 · H301-H311-H331-H341
- Precautionary statements
- 201 · P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
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
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS08
- Hazard statements
- H301-H311-H331-H341
- Precautionary statements
- P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Chemistry & industry
Suppliers2 total
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
8 records
Compound notes
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