Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate

Modify Date: 2024-01-04 17:08:50

Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate Structure
Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate structure
Common Name Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate
CAS Number 89457-09-0 Molecular Weight 258.19700
Density 1.41g/cm3 Boiling Point 352.4ºC at 760 mmHg
Molecular Formula C11H9F3N2O2 Melting Point N/A
MSDS N/A Flash Point 166.9ºC

 Names

Name ethyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.41g/cm3
Boiling Point 352.4ºC at 760 mmHg
Molecular Formula C11H9F3N2O2
Molecular Weight 258.19700
Flash Point 166.9ºC
Exact Mass 258.06200
PSA 54.98000
LogP 2.75840
Index of Refraction 1.546

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DD6690000
CHEMICAL NAME :
Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester
CAS REGISTRY NUMBER :
89457-09-0
LAST UPDATED :
198910
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C11-H9-F3-N2-O2
MOLECULAR WEIGHT :
258.22

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 :
40 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

 Safety Information

HS Code 2933990090

 Synthetic Route

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Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate Structure

Ethyl 2-(triflu...

CAS#:89457-09-0

Literature: Fujisawa Pharmaceutical Co., Ltd. Patent: US6166219 A1, 2000 ;

~%

Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate Structure

Ethyl 2-(triflu...

CAS#:89457-09-0

Literature: Fujisawa Pharmaceutical Co., Ltd. Patent: US6352985 B1, 2002 ; Location in patent: Page column 82-83 ;

~%

Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate Structure

Ethyl 2-(triflu...

CAS#:89457-09-0

Literature: Cong, Chao; Wang, Haiyang; Hu, Yue; Liu, Chen; Ma, Siti; Li, Xin; Cao, Jichao; Ma, Shutao European Journal of Medicinal Chemistry, 2011 , vol. 46, # 7 p. 3105 - 3111

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Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate Structure

Ethyl 2-(triflu...

CAS#:89457-09-0

Literature: Cong, Chao; Wang, Haiyang; Hu, Yue; Liu, Chen; Ma, Siti; Li, Xin; Cao, Jichao; Ma, Shutao European Journal of Medicinal Chemistry, 2011 , vol. 46, # 7 p. 3105 - 3111

 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%

 Synonyms

5-ethoxycarbonyl-2-trifluoromethylbenzimidazole