Basic information
- CAS
89457-09-0- Standard SMILES
CCOC(=O)c1ccc2nc(C(F)(F)F)[nH]c2c1- InChIKey
WOQXCSGTWFKUSU-UHFFFAOYSA-N- Molecular formula
- C11H9F3N2O2
- Average molar mass
- 258.2 g/mol
- Monoisotopic mass
- 258.06161202
Names & identifiers
- Preferred name
- Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester
- IUPAC
- ethyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylate
- English name
- Ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate
- Molecular formula
- C11H9F3N2O2
- Molecular weight
- 258.2
Names & synonyms
89457-09-0ethyl 2-(trifluoromethyl)-1H-1,3-benzodiazole-5-carboxylate2-(Trifluoromethyl)benzimidazole-5-carboxylic acid ethyl esterBENZIMIDAZOLE-5-CARBOXYLIC ACID, 2-(TRIFLUOROMETHYL)-, ETHYL ESTERDTXSID10237724RefChem:565120DTXCID60160215806-839-6ethyl 2-(trifluoromethyl)-3H-benzimidazole-5-carboxylateMFCD01658435ethyl 2-(trifluoromethyl)-1H-benzimidazolyl-5-carboxylateEthyl 2-(trifluoromethyl)-1H-benzo[d]imidazole-5-carboxylate
Show more names
1H-Benzimidazole-5-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester1H-Benzimidazole-6-carboxylic acid, 2-(trifluoromethyl)-, ethyl ester
SCHEMBL6170190SCHEMBL6170198WOQXCSGTWFKUSU-UHFFFAOYSA-NAKOS002327423AKOS025312329LH-0721ST106182ST50792565
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 322
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H332-H312
- Precautionary statements
- 280 · P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
- HS Code
- 2917399590 · 2917399590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2917399590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H332-H312
- Precautionary statements
- P280-P302+P352-P312-P322-P363-P501-P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
Nanjing Moldeep Biochemical Co., Ltd.+86-25-58282389 +86-17351037455 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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