1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile
Basic information
- CAS
214262-93-8- Standard SMILES
N#CC1(c2ccc(F)cc2Cl)CCCCC1- InChIKey
KZGDMXVKXALOSX-UHFFFAOYSA-N- Molecular formula
- C13H13ClFN
- Average molar mass
- 237.7 g/mol
- Monoisotopic mass
- 237.0720553
Names & identifiers
- Preferred name
- 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile
- IUPAC
- 1-(2-chloro-4-fluorophenyl)cyclohexane-1-carbonitrile
- English name
- 1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile
- Molecular formula
- C13H13ClFN
- Molecular weight
- 237.7
Names & synonyms
214262-93-81-(2-CHLORO-4-FLUOROPHENYL)CYCLOHEXANECARBONITRILE1-(2-chloro-4-fluorophenyl)cyclohexane-1-carbonitrileSCHEMBL1021621DTXSID40352934SBB017024AKOS012334430AC-12412ST503068791-(2-CHLORO-4-FLUOROPENYL)-CYCLOHEXANECARBONITRILE1-(2-CHLORO-4-FLUOROPENYL)-CYCLOHEXANECARBONICTRILECyclohexanecarbonitrile, 1-(2-chloro-4-fluorophenyl)-
Show more names
1-(2-Chloro-4-fluorophenyl)cyclohexanecarbonitrile,95%
Database identifiers
- CAS
214262-93-8- PubChem CID
- 736128
- DTXSID
DTXSID40352934
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 290
Physicochemical properties
- Melting point
- 58 · 58-65 °C
- Density
- 1.1738 · 1.1738 (estimate)
- Hazard Codes
- Xn
- Risk Statements
- 36 · 36/37/38-20/21/22
- Safety Statements
- 36 · 36/37/39-26
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
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xn
- safety_code
- 36/37/39-26
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Related reactions
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Compound notes
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