Basic information
- CAS
35727-88-9- Standard SMILES
N#Cc1c(Cl)c(C#N)c(Nc2ccc(F)cc2F)c(C#N)c1Cl- InChIKey
RYWZYZZJILHHSA-UHFFFAOYSA-N- Molecular formula
- C15H4Cl2F2N4
- Average molar mass
- 349.1 g/mol
- Monoisotopic mass
- 347.9781079
Names & identifiers
- Preferred name
- 1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(2,4-difluoroanilino)-
- IUPAC
- 2,4-dichloro-6-(2,4-difluoroanilino)benzene-1,3,5-tricarbonitrile
- English name
- 2,4-Dichloro-6-[(2,4-difluorophenyl)amino]-1,3,5-benzenetricarbonitrile
- Molecular formula
- C15H4Cl2F2N4
- Molecular weight
- 349.12
Names & synonyms
35727-88-94,6-Dichloro-2-(2,4-difluoroanilino)trimesonitrile1,3,5-Benzenetricarbonitrile, 4,6-dichloro-2-(2,4-difluoroanilino)-DTXSID001892634,6-Dichloro-2-(2,4-difluoroanilino)-1,3,5-benzenetricarbonitrileRefChem:217151DTXCID301117542,4-dichloro-6-[(2,4-difluorophenyl)amino]benzene-1,3,5-tricarbonitrile2,4-dichloro-6-(2,4-difluoroanilino)benzene-1,3,5-tricarbonitrileCHEMBL32481752,4-Dichloro-6-[(2,4-difluorophenyl)amino]-1,3,5-benzenetricarbonitrile1,3,5-Benzenetricarbonitrile, 2,4-dichloro-6-[(2,4-difluorophenyl)amino]-
Database identifiers
- CAS
35727-88-9- PubChem CID
- 215468
- DTXSID
DTXSID00189263- ChEMBL
CHEMBL3248175- Nikkaji
- J41.333J
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 558
Physicochemical properties
- Melting point
- 238 · 238-239 °C(Solv: methanol (67-56-1))
- Boiling point
- 396.9 · 396.9±42.0 °C(Predicted)
- Density
- 1.6 · 1.60±0.1 g/cm3(Predicted)
- pka
- -9.77 · -9.77±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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