4-Chloro-N-cyano-N-methylaniline
Basic information
- CAS
32111-91-4- Standard SMILES
CN(C#N)c1ccc(Cl)cc1- InChIKey
ZGJPDKIQHSZVFP-UHFFFAOYSA-N- Molecular formula
- C8H7ClN2
- Average molar mass
- 166.61 g/mol
- Monoisotopic mass
- 166.0297759
Names & identifiers
- Preferred name
- 4-Chloro-N-cyano-N-methylaniline
- IUPAC
- (4-chlorophenyl)-methylcyanamide
- English name
- (4-chlorophenyl)methylcyanamide
- Molecular formula
- C8H7ClN2
- Molecular weight
- 166.61
Names & synonyms
N-(4-chlorophenyl)-N-methylcyanamide7242-42-44-Chloro-N-cyano-N-methylanilineDTXSID60413935(4-Chlorophenyl)(methyl)cyanamideN-(4-Chlorophenyl-N-methylcyanamideCS-0367905N-(4-chlorobenzyl)cyanamide(4-chlorophenyl)methylcyanamideCyanamide, (4-chlorophenyl)methyl- (9CI)
Database identifiers
- CAS
32111-91-4、7242-42-4- PubChem CID
- 5260100
- DTXSID
DTXSID60413935- Nikkaji
- J278.234K
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Boiling point
- 310.9 · 310.9±25.0 °C(Predicted)
- Density
- 1.254 · 1.254±0.06 g/cm3(Predicted)
- pka
- -2.8 · -2.80±0.50(Predicted)
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Compound notes
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