N-(1H-benzoimidazol-2-yl)-2,2,2-trifluoro-acetamide

Modify Date: 2025-10-03 21:18:16

N-(1H-benzoimidazol-2-yl)-2,2,2-trifluoro-acetamide Structure
N-(1H-benzoimidazol-2-yl)-2,2,2-trifluoro-acetamide structure
Common Name N-(1H-benzoimidazol-2-yl)-2,2,2-trifluoro-acetamide
CAS Number 80007-99-4 Molecular Weight 229.15900
Density 1.585g/cm3 Boiling Point 265.1ºC at 760 mmHg
Molecular Formula C9H6F3N3O Melting Point N/A
MSDS N/A Flash Point 114.1ºC

 Names

Name N-(1H-benzimidazol-2-yl)-2,2,2-trifluoroacetamide
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.585g/cm3
Boiling Point 265.1ºC at 760 mmHg
Molecular Formula C9H6F3N3O
Molecular Weight 229.15900
Flash Point 114.1ºC
Exact Mass 229.04600
PSA 57.78000
LogP 2.13670
Index of Refraction 1.628
InChIKey DEBMOHFVGJVHLV-UHFFFAOYSA-N
SMILES O=C(Nc1nc2ccccc2[nH]1)C(F)(F)F

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
AB4542467
CHEMICAL NAME :
Acetamide, N-1H-benzimidazol-2-yl-2,2,2-trifluoro-
CAS REGISTRY NUMBER :
80007-99-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H6-F3-N3-O
MOLECULAR WEIGHT :
229.18

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
>1 gm/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
FRMCE8 Farmaco. (Societa Chimica Italiana, Corso Strada Nova, 86, Casella Postale 227, 27100 Pavia, Italy) V.44- 1989- Volume(issue)/page/year: 45,223,1990

 Synonyms

Acetamide,N-1H-benzimidazol-2-yl-2,2,2-trifluoro
N-1H-Benzimidazol-2-yl-2,2,2-trifluoroacetamide
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