Basic information
- CAS
61295-52-1- Standard SMILES
CCCC(=O)C(Cl)CC- InChIKey
ONHHYBUXHMRHFZ-UHFFFAOYSA-N- Molecular formula
- C7H13ClO
- Average molar mass
- 148.63 g/mol
- Monoisotopic mass
- 148.06549272
Names & identifiers
- Preferred name
- 4-Heptanone, 3-chloro-
- IUPAC
- 3-chloroheptan-4-one
- English name
- 3-chloroheptan-4-one
- Molecular formula
- C7H13ClO
- Molecular weight
- 148.63
Names & synonyms
3-Chloro-4-heptanone4-Heptanone, 3-chloro-61295-52-1EINECS 262-693-8DTXSID10886433RefChem:523567DTXCID2010257623-Chloroheptan-4-one3-chloro- 4-heptanone4-Heptanone, 3-chloroSCHEMBL11458916DB-304608
Show more names
NS00053417
Database identifiers
- CAS
61295-52-1- PubChem CID
- 108544
- DTXSID
DTXSID10886433- EC Number
- 262-693-8
- Nikkaji
- J268.432B
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 90.9
Physicochemical properties
- EPA Substance Registry System
- 4 · 4-Heptanone, 3-chloro- (61295-52-1)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory InformationChemical: 4-Heptanone, 3-chloro-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information4-Heptanone, 3-chloro-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
28 records
Compound notes
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