Basic information
- CAS
69815-57-2- Standard SMILES
CC1=C(C)CC(C(=O)Cl)CC1- InChIKey
DVJMTBKKGZMDBA-UHFFFAOYSA-N- Molecular formula
- C9H13ClO
- Average molar mass
- 172.65 g/mol
- Monoisotopic mass
- 172.0654927
Names & identifiers
- Preferred name
- 3,4-Dimethyl-3-cyclohexene-1-carbonyl chloride
- IUPAC
- 3,4-dimethylcyclohex-3-ene-1-carbonyl chloride
- English name
- 3-Cyclohexene-1-carbonyl chloride, 3,4-dimethyl- (9CI)
- Molecular formula
- C9H13ClO
- Molecular weight
- 172.65
Names & synonyms
3,4-Dimethyl-3-cyclohexene-1-carbonyl chloride69815-57-23-Cyclohexene-1-carbonyl chloride, 3,4-dimethyl-RefChem:4863333,4-dimethylcyclohex-3-ene-1-carbonyl chlorideSCHEMBL7945181DTXSID10990084DVJMTBKKGZMDBA-UHFFFAOYSA-NDB-2829503,4-Dimethyl-3-cyclohexene-1-carboxylic acid chloride3-Cyclohexene-1-carbonyl chloride, 3,4-dimethyl- (9CI)
Database identifiers
- CAS
69815-57-2- PubChem CID
- 112161
- DTXSID
DTXSID10990084- Nikkaji
- J441.320B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- EPA Substance Registry System
- 3 · 3-Cyclohexene-1-carbonyl chloride, 3,4-dimethyl- (69815-57-2)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Cyclohexene-1-carbonyl chloride, 3,4-dimethyl-: INACTIVE
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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