CAS 135748-35-5 4-Chloro-2,5-difluorobenzonitrile (HCID 11275302)

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Basic information

CAS: 135748-35-5
Standard SMILES: N#Cc1cc(F)c(Cl)cc1F
InChIKey: OMVDTUXOHXQKML-UHFFFAOYSA-N
Molecular formula: C7H2ClF2N
Average molar mass: 173.55 g/mol
Monoisotopic mass: 172.9843831

Names & identifiers

Preferred name: 4-Chloro-2,5-difluorobenzonitrile
IUPAC: 4-chloro-2,5-difluorobenzonitrile
English name: 4-CHLORO-2,5-DIFLUOROBENZONITRILE
Molecular formula: C7H2ClF2N
Molecular weight: 173.55

Names & synonyms

4-CHLORO-2,5-DIFLUOROBENZONITRILE135748-35-5DTXSID10460818RefChem:291372DTXCID00411637Benzonitrile, 4-chloro-2,5-difluoro-MFCD066594644-chloro-2,5-difluoro-benzonitrile2,5-difluoro-4-chloro-benzonitrileAC-228CL8209AKOS006294608

Show more names

2, 5-difluoro-4-chlorobenzonitrile

DS-14146SY111621CS-0063913EN300-3256112Z1198169530FT-0602485SCHEMBL1880028SCHEMBL31504178

Database identifiers

CAS: 135748-35-5
PubChem CID: 11275302
DTXSID: DTXSID10460818

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 11
Formal charge: 0
Complexity: 188

Physicochemical properties

Boiling point: 206.8 · 206.8±35.0 °C(Predicted)
Density: 1.43 · 1.43±0.1 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
InChI: InChI=1S/C7H2ClF2N/c8-5-2-6(9)4(3-11)1-7(5)10/h1-2H
InChIKey: OMVDTUXOHXQKML-UHFFFAOYSA-N
SMILES: C(#N)C1=CC(F)=C(Cl)C=C1F
CAS DataBase Reference: 135748 · 135748-35-5(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2926907090 · 2926907090

Safety & regulation

Safety data

hs_code: 2926907090
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Uses4-Chloro-2,5-difluorobenzonitrile is an organic compound that is often used as an intermediate in organic synthesis. It can participate in a variety of reactions and can also be used to prepare other organic compounds.