Cas no 51012-27-2 (2,5-Bis(trifluoromethyl)benzonitrile)

2,5-Bis(trifluoromethyl)benzonitrile structure
51012-27-2 structure
Product Name:2,5-Bis(trifluoromethyl)benzonitrile
CAS No:51012-27-2
MF:C9H3F6N
MW:239.117243051529
MDL:MFCD03094423
CID:55922
PubChem ID:2737810
Update Time:2025-04-18

2,5-Bis(trifluoromethyl)benzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2,5-Bis(trifluoromethyl)benzonitrile
    • 2,5-Bis-trifluoromethyl-benzonitrile
    • JRD-1681
    • OMAYRCLGTUORSS-UHFFFAOYSA-N
    • MFCD03094423
    • CS-0314755
    • SCHEMBL1996176
    • SY018210
    • FT-0725065
    • DTXSID00372259
    • A828394
    • PS-7606
    • 51012-27-2
    • AC7726
    • AKOS005257867
    • DB-024102
    • MDL： MFCD03094423
    • Inchi： 1S/C9H3F6N/c10-8(11,12)6-1-2-7(9(13,14)15)5(3-6)4-16/h1-3H
    • InChI Key： OMAYRCLGTUORSS-UHFFFAOYSA-N
    • SMILES： FC(C1C=CC(C(F)(F)F)=CC=1C#N)(F)F

Computed Properties

  • Exact Mass: 239.01700
  • Monoisotopic Mass: 239.017
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 295
  • 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: 23.8A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 3.4

Experimental Properties

  • Color/Form: Not determined
  • Density: 1.199
  • Boiling Point: 214.5 ℃ at 760 mmHg
  • Flash Point: 181.3°C
  • Refractive Index: 1.4210
  • PSA: 23.79000
  • LogP: 3.59588
  • Solubility: Not determined

2,5-Bis(trifluoromethyl)benzonitrile Security Information

  • Hazard Statement： Toxic
  • Hazardous Material transportation number：3276
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： S26-S36/37/39
  • Hazardous Material Identification： T
  • Safety Term：S26-S36/37/39
  • Risk Phrases：R20/21/22
  • HazardClass：6.1

2,5-Bis(trifluoromethyl)benzonitrile Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2,5-Bis(trifluoromethyl)benzonitrile Pricemore >>

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Alichem
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abcr
AB146473-1 g
2,5-Bis(trifluoromethyl)benzonitrile, 98%; .
 51012-27-2 98%
1 g
 €72.00 2023-07-20
abcr
AB146473-5 g
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5 g
 €143.20 2023-07-20

2,5-Bis(trifluoromethyl)benzonitrile Production Method

2,5-Bis(trifluoromethyl)benzonitrile Related Literature

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