Basic information
- CAS
930-65-4- Standard SMILES
ClC1CC=CCC1- InChIKey
NCDVDTXDSDVLPL-UHFFFAOYSA-N- Molecular formula
- C6.H9.Cl
- Average molar mass
- 116.59 g/mol
- Monoisotopic mass
- 116.039278
Names & identifiers
- Preferred name
- 4-Chlorocyclohexene
- IUPAC
- 4-chlorocyclohexene
- English name
- 4-Chlorocyclohexene
- Molecular formula
- C6H9Cl
- Molecular weight
- 116.59
Names & synonyms
4-CHLOROCYCLOHEXENE930-65-4Cyclohexene, 4-chloro-RefChem:98575NCDVDTXDSDVLPL-UHFFFAOYSA-N4-CHLOROCYCLOHEX-1-ENE4-chloro-cyclohexene4-Chloro-1-cyclohexene #SCHEMBL1109733SCHEMBL5750871SCHEMBL5752876SCHEMBL11093062
Show more names
4-Chloro-1-cyclohexeneChlorocyclohexene: (4-Chlorocyclohexene)
SCHEMBL15351397SCHEMBL15351889SCHEMBL15352070DTXSID40918791AKOS006280592FC720294-CHLOROCYCLOHEXENE;Chlorocyclohexene: (4-Chlorocyclohexene);4-Chloro-1-cyclohexene
Database identifiers
- CAS
930-65-4- PubChem CID
- 13592
- DTXSID
DTXSID40918791- Nikkaji
- J109.053D
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 76.2
Physicochemical properties
- Boiling point
- 40 · 40-45 °C(Press: 13 Torr)
- Density
- 0.9286 g/cm3 · 0.9286 g/cm3
- storage temp.
- Refrigerator, Under inert atmosphere
- solubility
- Chloroform (Slightly), Dichloromethane (Slightly), Ethanol (Slightly)
- form
- Oil
- color
- Colourless
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 & protection
Protective Action Criteria (PAC)
30 [mg/m3]
330 [mg/m3]
2000 [mg/m3]
Chemistry & industry
Applications
Uses4-Chlorocyclohexene is a 4-substituted cyclohexene that has been used to create bicyclo[3.1.0]hexane rings via zirconium y-elimination.
Suppliers4 total
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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