Basic information
- CAS
6209-75-2- Standard SMILES
C#CC1(Cl)CCCCC1- InChIKey
GBHYSRYVIVDDHC-UHFFFAOYSA-N- Molecular formula
- C8H11Cl
- Average molar mass
- 142.62 g/mol
- Monoisotopic mass
- 142.054928
Names & identifiers
- Preferred name
- Cyclohexane, 1-chloro-1-ethynyl-
- IUPAC
- 1-chloro-1-ethynylcyclohexane
- English name
- Cyclohexane, 1-chloro-1-ethynyl- (6CI, 7CI, 8CI, 9CI)
- Molecular formula
- C8H11Cl
- Molecular weight
- 142.63
Names & synonyms
1-Chloro-1-ethynylcyclohexaneCyclohexane, 1-chloro-1-ethynyl-1-Ethynylcyclohexyl chlorideBRN 1927493DTXSID202111314-05-00-00405 (Beilstein Handbook Reference)RefChem:335196DTXCID201336226209-75-2MFCD017346811-(chlorocyclohexyl)ethyne1-ethynyl-1-chlorocyclohexane
Show more names
Cyclohexane, 1-chloro-1-ethynyl- (6CI, 7CI, 8CI, 9CI)
1-chloro-1-ethynyl-cyclohexaneSCHEMBL6977983GBHYSRYVIVDDHC-UHFFFAOYSA-NSBB001933AKOS006240686
Database identifiers
- CAS
6209-75-2- PubChem CID
- 201548
- DTXSID
DTXSID20211131- EC Number
- 189-859-1
- Nikkaji
- J48.542J
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 66 °C · 66 °C(Press: 20 Torr)
- Density
- 1.008 g/cm3 · 1.008 g/cm3(Temp: 25 °C)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
重庆诺森医药有限公司15310618205 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
1 records
Compound notes
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