2-Trifluoromethylbenzimidazole

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Names

[ CAS No. ]:
312-73-2

[ Name ]:
2-Trifluoromethylbenzimidazole

[Synonym ]:
Benzimidazole,2-trifluoromethyl
2-Trifluoromethylbenzimidazole
2-trifluoromethyl-1H-benzimidazole
2-Trifluoromethyl-1H-benzoimidazole
1H-Benzimidazole, 2-(trifluoromethyl)-
2-(Trifluoromethyl)benzimidazole
2-(Trifluoromethyl)-1H-benzimidazole
MFCD00022675

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
262.8±40.0 °C at 760 mmHg

[ Melting Point ]:
208-211 °C(lit.)

[ Molecular Formula ]:
C8H5F3N2

[ Molecular Weight ]:
186.134

[ Flash Point ]:
112.7±27.3 °C

[ Exact Mass ]:
186.040482

[ PSA ]:
28.68000

[ LogP ]:
2.40

[ Vapour Pressure ]:
0.0±0.5 mmHg at 25°C

[ Index of Refraction ]:
1.560

[ Water Solubility ]:
PRACTICALLY INSOLUBLE

MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DE1576000
CHEMICAL NAME :
Benzimidazole, 2-trifluoromethyl-
CAS REGISTRY NUMBER :
312-73-2
BEILSTEIN REFERENCE NO. :
0163420
LAST UPDATED :
199803
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H5-F3-N2
MOLECULAR WEIGHT :
186.15
WISWESSER LINE NOTATION :
T56 BM DNJ CXFFF

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
28 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
PSSCBG Pesticide Science. (Blackwell Scientific Pub. Ltd., POB 88, Oxford, UK) V.1- 1970- Volume(issue)/page/year: 15,31,1984
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
56 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#07536

Safety Information

[ Hazard Codes ]:
T: Toxic;

[ Risk Phrases ]:
R23/24/25;R36/37/38

[ Safety Phrases ]:
S22-S26-S36/37/39-S45-S28A

[ RIDADR ]:
UN 2811 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
DE1576000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1(a)

[ HS Code ]:
2933990090

Synthetic Route

Precursor & DownStream

Precursor

  • o-Phenylenediamine
  • trifluoroacetic acid
  • Acetamide, 2,2,2-trifluoro-N-(2-nitrophenyl)-
  • 2,5-dichloro-1,1,1,6,6,6-hexafluoro-3,4-diaza-hexa-2,4-diene
  • Acetamide,N,N'-1,2-phenylenebis[2,2,2-trifluoro- (9CI)
  • Acetamide, N-(2-aminophenyl)-2,2,2-trifluoro-
  • 2-Nitroaniline
  • 1-[(2-aminophenyl)amino]-2-trifluoroacetylcyclohex-1-ene
  • 3-(1,1-dihydroxy-2,2,2-trifluoroethyl)-1-methylbenzo[f]tetrahydroazepin-2-one

DownStream

  • 4,5,6,7-tetrachloro-2-trifluoromethylbenzimidazole
  • benzimidazole carboxylic acid
  • 2-(Trifluoromethyl)-1H-imidazole-4,5-dicarboxylic acid
  • 1H-benzimidazole, 1-(difluoromethyl)-
  • 1-(1,1,2,3,3,3-hexafluoropropyl)-2-(trifluoromethyl)benzimidazole
  • 1H-Benzimidazole,1-methyl-2-(trifluoromethyl)-(9CI)

Customs

[ HS Code ]: 2933990090

[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%


Related Compounds

  • 4-amino-2-trifluoromethylbenzimidazole
  • 5-Nitro-2-trifluoromethylbenzimidazole
  • 5-Cyano-2-trifluoromethylbenzimidazole
  • 1-allyl-2-trifluoromethylbenzimidazole
  • 5-chloro-2-trifluoromethylbenzimidazole
  • 5-methyl-2-trifluoromethylbenzimidazole
  • 2-Cyclopropyl-4-(phenylmethoxycarbonylamino)-1H-imidazole-5-carboxylic acid
  • Ethyl (1R,3S,5R)-2-azabicyclo[3.1.0]hexane-3-carboxylate
  • 2-Methyl-7-(phenylmethoxycarbonylamino)pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
  • 7-(9H-Fluoren-9-ylmethoxycarbonyl)-7-azaspiro[3.5]nonane-2-carboxylic acid
  • 8-(9H-Fluoren-9-ylmethoxycarbonyl)-1-oxa-8-azaspiro[4.5]dec-3-ene-3-carboxylic acid
  • (3-Fluoro-4-nitrophenyl)methanethiol
  • Tert-butyl 5-amino-2-methoxypyridine-4-carboxylate
  • 5-[4-(9H-Fluoren-9-ylmethoxycarbonyl)piperazin-1-yl]pyrazine-2-carboxylic acid
  • (3S,5S)-5-Tert-butyl-1-phenylmethoxycarbonylpiperidine-3-carboxylic acid
  • 3-(Phenylmethoxycarbonylaminomethyl)-1-benzothiophene-2-carboxylic acid
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