Cas no 31776-83-7 (2-Chloro-6-(4-fluorophenyl)nicotinonitrile)

2-Chloro-6-(4-fluorophenyl)nicotinonitrile structure
31776-83-7 structure
Product Name:2-Chloro-6-(4-fluorophenyl)nicotinonitrile
CAS No:31776-83-7
MF:C12H6ClFN2
MW:232.64084482193
MDL:MFCD00215072
CID:53800
PubChem ID:2773734
Update Time:2025-09-27

2-Chloro-6-(4-fluorophenyl)nicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Chloro-6-(4-fluorophenyl)nicotinonitrile
    • 2-Chloro-3-cyano-6-(4-fluorophenyl)pyridine
    • 2-chloro-6-(4-fluorophenyl)pyridine-3-carbonitrile
    • A5733
    • SCHEMBL1919134
    • 2-chloro-6-(4-fluoro-phenyl)-nicotinonitrile
    • Q-103365
    • AM20051064
    • A820984
    • AKOS000345205
    • CS-0312655
    • 2-chloro-6-(4-fluorophenyl)-3-pyridinecarbonitrile
    • 10H-517S
    • 2-chloranyl-6-(4-fluorophenyl)pyridine-3-carbonitrile
    • 2-(4-fluorophenyl)-5-cyano-6-chloropyridine
    • DTXSID80378678
    • 31776-83-7
    • FT-0679919
    • VJYNNRPTVYPCCS-UHFFFAOYSA-N
    • MFCD00215072
    • 3-Pyridinecarbonitrile, 2-chloro-6-(4-fluorophenyl)-
    • DB-002159
    • MDL: MFCD00215072
    • Inchi: 1S/C12H6ClFN2/c13-12-9(7-15)3-6-11(16-12)8-1-4-10(14)5-2-8/h1-6H
    • InChI Key: VJYNNRPTVYPCCS-UHFFFAOYSA-N
    • SMILES: ClC1=C(C#N)C=CC(C2C=CC(=CC=2)F)=N1

Computed Properties

  • Exact Mass: 232.02000
  • Monoisotopic Mass: 232.02
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 1
  • Complexity: 280
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 36.7A^2
  • XLogP3: 3.3

Experimental Properties

  • Density: 1.37
  • Melting Point: 173-176°C
  • Boiling Point: 373.3°Cat760mmHg
  • Flash Point: 179.5°C
  • Refractive Index: 1.612
  • PSA: 36.68000
  • LogP: 3.41278

2-Chloro-6-(4-fluorophenyl)nicotinonitrile Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:UN 3439
  • Hazard Category Code: 20/21/22-36/37/38-25
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • HazardClass:6.1
  • PackingGroup:III
  • Packing Group:III
  • Hazard Level:6.1
  • Safety Term:6.1
  • Packing Group:III
  • Risk Phrases:R20/21/22

2-Chloro-6-(4-fluorophenyl)nicotinonitrile Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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