Cas no 83012-13-9 (4-Chloro-2,8-bis(trifluoromethyl)quinoline)

4-Chloro-2,8-bis(trifluoromethyl)quinoline structure
83012-13-9 structure
Product Name:4-Chloro-2,8-bis(trifluoromethyl)quinoline
CAS No:83012-13-9
MF:C11H4ClF6N
MW:299.599582672119
MDL:MFCD00075104
CID:90841
PubChem ID:24860490
Update Time:2024-10-27

4-Chloro-2,8-bis(trifluoromethyl)quinoline Chemical and Physical Properties

Names and Identifiers

    • 4-Chloro-2,8-bis-trifluoromethylquinoline
    • 2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE
    • 4-Chloro-2,8-bis(trifluoromethyl)quinoline
    • 4-Chloro-2,8-bis-trifluoromethyl-quinoline
    • Quinoline, 4-chloro-2,8-bis(trifluoromethyl)-
    • PubChem5932
    • 6-Chloro-2,8-bis(trifluoromethyl)quinoline
    • KSC650E9N
    • ZSQOESPYYNJBCZ-UHFFFAOYSA-N
    • PC9012
    • AB02852
    • VQ10074
    • TRA0030
    • 4-Chloro-2,8-bis(trifluoromethyl)quinoline (ACI)
    • CS-D0693
    • 4-Chloro-2 pound not8-bis(trifluoromethyl)quinoline
    • J-514925
    • 4-Chloro-2,8-bis(trifluoromethyl)quinoline, 97%
    • MFCD00075104
    • AKOS005259145
    • NS00059506
    • FT-0610760
    • 4-chloranyl-2,8-bis(trifluoromethyl)quinoline
    • SY005990
    • 2,8-bis-(trifluoromethyl)-4-chloroquinoline
    • SCHEMBL1258312
    • EINECS 280-132-5
    • A840489
    • A26938
    • PS-7134
    • AC-7386
    • DTXSID20232129
    • AMY14348
    • 83012-13-9
    • 4-chloro-2,8-di(trifluoromethyl)quinoline
    • DTXCID70154620
    • MDL： MFCD00075104
    • Inchi： 1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H
    • InChI Key： ZSQOESPYYNJBCZ-UHFFFAOYSA-N
    • SMILES： FC(C1C=C(Cl)C2C=CC=C(C=2N=1)C(F)(F)F)(F)F

Computed Properties

  • Exact Mass: 298.99400
  • Monoisotopic Mass: 298.994
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 7
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 0
  • Complexity: 328
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.6
  • Topological Polar Surface Area: 12.9

Experimental Properties

  • Color/Form: Solid
  • Density: 1.5242 (estimate)
  • Melting Point: 46-48?°C (lit.)
  • Boiling Point: No data available
  • Flash Point: Degrees Fahrenheit:235.4°F
    Degrees Celsius:113°C
  • Refractive Index: 1.456
  • PSA: 12.89000
  • LogP: 4.92580
  • Solubility: Not available
  • Vapor Pressure: No data available

4-Chloro-2,8-bis(trifluoromethyl)quinoline Security Information

  • Symbol: GHS07
  • Signal Word：Warning
  • Hazard Statement： H315-H319-H335
  • Warning Statement： P261-P305+P351+P338
  • Hazardous Material transportation number：NONH for all modes of transport
  • WGK Germany：3
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26-S37/39
  • Hazardous Material Identification： Xi
  • Risk Phrases：R36/37/38
  • HazardClass：IRRITANT
  • Storage Condition：2-8 °C

4-Chloro-2,8-bis(trifluoromethyl)quinoline Customs Data

  • HS CODE：2933499090
  • Customs Data：

    China Customs Code:

    2933499090

    Overview:

    2933499090. Other compounds containing quinoline or isoquinoline ring system [but not further fused]. 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:

    2933499090. other compounds containing in the structure a quinoline or isoquinoline ring-system (whether or not hydrogenated), not further fused. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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4-Chloro-2,8-bis(trifluoromethyl)quinoline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Acetyl chloride Solvents: Acetic acid ;  6 h, 25 °C
Reference
Synthesis of quinoline analogs. Search for antimalarial agents
Babu, Konda Ramesh; et al, Monatshefte fuer Chemie, 2008, 139(2), 179-181

Production Method 2

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: Acetone ,  Water ;  30 min, pH 11, 5 °C
2.1 Reagents: Acetyl chloride Solvents: Acetic acid ;  6 h, 25 °C
Reference
Synthesis of quinoline analogs. Search for antimalarial agents
Babu, Konda Ramesh; et al, Monatshefte fuer Chemie, 2008, 139(2), 179-181

Production Method 3

Reaction Conditions
1.1 3 h, 120 °C
1.2 Reagents: Water ;  cooled
2.1 Reagents: Phosphorus oxychloride ;  5 h, 80 °C
2.2 Reagents: Water ;  cooled
Reference
Synthesis of novel triazole-linked mefloquine derivatives: Biological evaluation against Plasmodium falciparum
Hamann, Anton R.; et al, Bioorganic & Medicinal Chemistry Letters, 2014, 24(23), 5466-5469

Production Method 4

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride ;  4 h, 80 °C
Reference
New hybrid trifluoromethylquinolines as antiplasmodium agents
da Silva, Renata M. R. J.; et al, Bioorganic & Medicinal Chemistry, 2019, 27(6), 1002-1008

Production Method 5

Reaction Conditions
1.1 Reagents: Phosphorus oxychloride
Reference
A straightforward and high yielding synthesis of mefloquine. II
Adam, Solange, Tetrahedron, 1991, 47(36), 7609-14

Production Method 6

Reaction Conditions
1.1 3 h, 150 °C
2.1 Reagents: Phosphorus oxychloride ;  4 h, 80 °C
Reference
New hybrid trifluoromethylquinolines as antiplasmodium agents
da Silva, Renata M. R. J.; et al, Bioorganic & Medicinal Chemistry, 2019, 27(6), 1002-1008

Production Method 7

Reaction Conditions
1.1 150 °C
2.1 Reagents: Phosphorus oxychloride ;  reflux
Reference
Investigations into the flexibility of the 3D structure and rigid backbone of quinoline by fluorine addition to enhance its blue emission
Alapour, S.; et al, CrystEngComm, 2018, 20(16), 2316-2323

4-Chloro-2,8-bis(trifluoromethyl)quinoline Raw materials

4-Chloro-2,8-bis(trifluoromethyl)quinoline Preparation Products

4-Chloro-2,8-bis(trifluoromethyl)quinoline Related Literature

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