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  2. 1546-79-8
1-(Trifluoroacetyl)imidazole | 1546-79-8

Product name:1-(Trifluoroacetyl)imidazole

CAS No:1546-79-8
MF:C5H3F3N2O
MW:164.0853
MDL:MFCD00014501
CID:41559
PubChem ID:24861374
Names and Identifiers
  • 2,2,2-Trifluoro-1-(1H-imidazol-1-yl)ethanone
  • 1-(Trifluoroacetyl)imidazole
  • N-Trifluoroacetylimidazole
  • 2,2,2-trifluoro-1-imidazol-1-ylethanone
  • 1-(Trifluoroacetyl)-1H-imidazole
  • 1H-Imidazole, 1-(trifluoroacetyl)-
  • TFAI
  • N-TRIFLUOROACETYL IMIDAZOLE
  • SINBGNJPYWNUQI-UHFFFAOYSA-N
  • 8C6041OW3I
  • 2,2,2-trifluoro-1-(1H-imidazol-1-yl)ethan-1-one
  • 2,2,2-TRIFLUORO-1-(1H-IMIDAZOL-1-YL)-ETHANONE
  • 2,2,2-trifluoro-1-imidazolylethan-1-one
  • NSC151965
  • PubChem6501
  • 1-trifluoroacetylimidazole
  • J-009132
  • J-009132
  • n-(trifluoroacetyl)imidazole
  • n-(trifluoroacetyl)imidazole
  • UNII-8C6041OW3I
  • UNII-8C6041OW3I
  • AC-22741
  • AC-22741
  • 1546-79-8
  • 1546-79-8
  • FT-0633652
  • FT-0633652
  • NS00048315
  • NS00048315
  • EINECS 216-282-5
  • EINECS 216-282-5
  • SCHEMBL156615
  • SCHEMBL156615
  • 1-(trifluoroacetyl) imidazole
  • 1-(trifluoroacetyl) imidazole
  • CS-W013249
  • 1-(Trifluoroacetyl)-1H-imidazole #
  • CS-W013249
  • NSC 151965
  • 1-(Trifluoroacetyl)-1H-imidazole #
  • PS-6800
  • NSC 151965
  • 1-(Trifluoroacetyl)-imidazole
  • PS-6800
  • ETHANONE, 2,2,2-TRIFLUORO-1-(1H-IMIDAZOL-1-YL)-
  • 1-(Trifluoroacetyl)-imidazole
  • Q27270172
  • DTXSID60165669
  • ETHANONE, 2,2,2-TRIFLUORO-1-(1H-IMIDAZOL-1-YL)-
  • BP-12200
  • Q27270172
  • 1-(trifloroacetyl)imidazole
  • DTXSID60165669
  • IMIDAZOLE, 1-(TRIFLUOROACETYL)-
  • BP-12200
  • 1-(Trifluoroacetyl)imidazole, 98%
  • 1-(trifloroacetyl)imidazole
  • MFCD00014501
  • IMIDAZOLE, 1-(TRIFLUOROACETYL)-
  • METHYL2,4-DINITROBENZOATE
  • 1-(Trifluoroacetyl)imidazole, 98%
  • AM84504
  • MFCD00014501
  • NSC-151965
  • METHYL2,4-DINITROBENZOATE
  • T0670
  • AM84504
  • AKOS006223451
  • NSC-151965
  • 1-(Trifluoroacetyl)imidazole, for GC derivatization
  • T0670
  • AKOS006223451
  • 1-(Trifluoroacetyl)imidazole, for GC derivatization
  • MDL:MFCD00014501
  • InChIKey:SINBGNJPYWNUQI-UHFFFAOYSA-N
  • Inchi:1S/C5H3F3N2O/c6-5(7,8)4(11)10-2-1-9-3-10/h1-3H
  • SMILES:FC(C(N1C([H])=NC([H])=C1[H])=O)(F)F
  • BRN:608904
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 164.02000
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Rotatable Bond Count: 0
  • Monoisotopic Mass: 164.019747
  • Heavy Atom Count: 11
  • Complexity: 168
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 0.8
  • Tautomer Count: nothing
  • Surface Charge: 0
  • Topological Polar Surface Area: 34.9

Experimental Properties

  • LogP: 1.08560
  • PSA: 34.89000
  • Refractive Index: n20/D 1.424(lit.)
  • Water Partition Coefficient: React
  • Boiling Point: 83°C/110mmHg
  • Vapor Pressure: 3.7±0.3 mmHg at 25°C
  • Flash Point: Fahrenheit: 111.2 ° f
    Celsius: 44 ° c
  • Color/Form: Colorless liquid.
  • Solubility: Hydrolyzable.
  • Sensitiveness: Moisture Sensitive
  • Density: 1.442 g/mL at 25 °C(lit.)
Security Information
  • Symbol: GHS02 GHS07
  • WGK Germany:3
  • Safety Term:3
  • Safety Instruction:S26-S36/37-S45-S36/37/39-S16
  • Packing Group:III
  • Risk Phrases:R10; R22; R34; R36/37/38
  • Znak za nevarno blago: Xi Xi
  • Hazardous Material transportation number:UN 1993 3/PG 3
  • Hazard Statement:H226,H315,H319,H335
  • Warning Statement:P261,P305+P351+P338
  • Prompt:warning
  • Storage Condition:0-10°C
  • PackingGroup:III
  • Hazard Category Code:10-36/37/38
  • Signal Word:Warning
  • TSCA:T
  • HazardClass:3
  • FLUKA BRAND F CODES:10-21
Customs Data
  • HS CODE:2933290090
  • Customs Data:

    China Customs Code:

    2933290090

    Overview:

    2933290090. Other compounds with non fused imidazole ring 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:

    2933290090. other compounds containing an unfused imidazole 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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