Cas no 81565-19-7 (3-Chloro-4-(trifluoromethyl)pyridine)

3-Chloro-4-(trifluoromethyl)pyridine structure
81565-19-7 structure
Product Name:3-Chloro-4-(trifluoromethyl)pyridine
CAS No:81565-19-7
MF:C6H3ClF3N
MW:181.542930841446
MDL:MFCD07368053
CID:60350
PubChem ID:12140226
Update Time:2024-12-09

3-Chloro-4-(trifluoromethyl)pyridine Chemical and Physical Properties

Names and Identifiers

    • 3-Chloro-4-(trifluoromethyl)pyridine
    • 3-Chloro-4-trifluoromethylpyridine
    • 3-chloro-4-(trifluoromethyl)yridine
    • SCHEMBL2008574
    • Pyridine, 3-chloro-4-(trifluoromethyl)-
    • AB31599
    • A9999
    • DS-12945
    • J-512218
    • AC-29108
    • 3-Chloro-4-trifluoromethyl pyridine
    • AMY3158
    • C76610
    • AKOS005063771
    • FT-0618056
    • SRXAUEYSIIIJDF-UHFFFAOYSA-N
    • DTXSID30478374
    • 81565-19-7
    • MFCD07368053
    • 3-Chloro-4-(trifluoromethyl)pyridine (ACI)
    • DTXCID30429184
    • STL555625
    • BBL101828
    • DB-002505
    • MDL: MFCD07368053
    • Inchi: 1S/C6H3ClF3N/c7-5-3-11-2-1-4(5)6(8,9)10/h1-3H
    • InChI Key: YNYROPYZSZBORI-UHFFFAOYSA-N
    • SMILES: FC(C1C(Cl)=CN=CC=1)(F)F

Computed Properties

  • Exact Mass: 180.99100
  • Monoisotopic Mass: 180.9906113g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 136
  • 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
  • XLogP3: 2.4
  • Topological Polar Surface Area: 12.9?2

Experimental Properties

  • Density: 1.416
  • Boiling Point: 170.6 oC at 760 mmHg
  • Flash Point: 57 oC
  • PSA: 12.89000
  • LogP: 2.75380

3-Chloro-4-(trifluoromethyl)pyridine Security Information

3-Chloro-4-(trifluoromethyl)pyridine 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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3-Chloro-4-(trifluoromethyl)pyridine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Cuprous iodide ,  Potassium fluoride ;  10 min, 1 torr, heated
1.2 Reagents: N-Methyl-2-pyrrolidone ;  rt → 50 °C; 30 min, 50 °C
1.3 20 h, 50 °C
Reference
Three chloro(trifluoromethyl)pyridines as model substrates for regioexhaustive functionalization
Cottet, Fabrice; et al, European Journal of Organic Chemistry, 2004, (18), 3793-3798

3-Chloro-4-(trifluoromethyl)pyridine Raw materials

3-Chloro-4-(trifluoromethyl)pyridine Preparation Products

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