3',4'-Dichlorocyclohexanecarboxanilide
Basic information
- CAS
15907-85-4- Standard SMILES
O=C(Nc1ccc(Cl)c(Cl)c1)C1CCCCC1- InChIKey
QNLPPYRKEBGGHV-UHFFFAOYSA-N- Molecular formula
- C13H15Cl2NO
- Average molar mass
- 272.17 g/mol
- Monoisotopic mass
- 271.0530695
Names & identifiers
- Preferred name
- 3',4'-Dichlorocyclohexanecarboxanilide
- IUPAC
- N-(3,4-dichlorophenyl)cyclohexanecarboxamide
- English name
- 3',4'-Dichlorocyclohexanecarboxanilide
- Molecular formula
- C13H15Cl2NO
- Molecular weight
- 272.17
Names & synonyms
15907-85-43',4'-DichlorocyclohexanecarboxanilideDTXSID50166564RefChem:90219DTXCID1089055QNLPPYRKEBGGHV-UHFFFAOYSA-NN-(3,4-Dichlorophenyl)cyclohexanecarboxamideCyclohexanecarboxamide,N-(3,4-dichlorophenyl)-MFCD00043474CHEMBL557686N-(3,4-dichlorophenyl)cyclohexylcarboxamide3,4-dichlorocyclohexanecarboxanilide
Show more names
TIMTEC-BB SBB008115Cyclohexanecarboxamide, N-(3,4-dichlorophenyl)-
MLS002152976SCHEMBL2239611HMS2220H23HMS3345F01BDBM50293730SBB008115AKOS002960599NCGC00247360-01
Database identifiers
- CAS
15907-85-4- PubChem CID
- 140002
- DTXSID
DTXSID50166564- ChEMBL
CHEMBL557686- Nikkaji
- J1.606.770I
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Experimental & physicochemical properties
LogP4.72
Physicochemical properties
- Boiling point
- 436.5 · 436.5±35.0 °C(Predicted)
- Density
- 1.302 · 1.302±0.06 g/cm3(Predicted)
- pka
- 13.45 · 13.45±0.70(Predicted)
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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