Basic information
- CAS
68483-71-6- Standard SMILES
ClCSC1CCCCC1- InChIKey
UAWFPBICPLHLCY-UHFFFAOYSA-N- Molecular formula
- C7H13ClS
- Average molar mass
- 164.7 g/mol
- Monoisotopic mass
- 164.0426493
Names & identifiers
- Preferred name
- [(Chloromethyl)sulfanyl]cyclohexane
- IUPAC
- chloromethylsulfanylcyclohexane
- English name
- Chloromethyl cyclohexyl sulfide
- Molecular formula
- C7H13ClS
- Molecular weight
- 164.7
Names & synonyms
68483-71-6[(chloromethyl)sulfanyl]cyclohexanechloromethylsulfanylcyclohexanechloromethylcyclohexylsulfideCHLOROMETHYL CYCLOHEXYL SULFIDESCHEMBL4818431DTXSID00601773UAWFPBICPLHLCY-UHFFFAOYSA-NAKOS006221916DB-243257CHLOROMETHYL CYCLOHEXYL SULPHIDEChloromethylcyclohexylsulfide,98%
Show more names
Cyclohexane, [(chloromethyl)thio]-
Database identifiers
- CAS
68483-71-6- PubChem CID
- 20026068
- DTXSID
DTXSID00601773
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 69.3
Physicochemical properties
- Boiling point
- 99 · 99-102°C 14mm
- refractive index
- 1.521 · 1.5210
- Symbol(GHS)
- 7 · GHS07
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P302+P352-P305+P351+P338-P321-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3334 · 3334
- HazardClass
- 9 · 9
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
- ridadr
- 3334
- risk_code
- 36/37/38
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- hazard_class
- 9
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P302+P352-P305+P351+P338-P321-P405-P501a
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
2 records
Compound notes
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