Basic information
- CAS
313241-14-4- Standard SMILES
O=C(O)Cn1c(C(F)(F)F)nc2ccccc21- InChIKey
GPOYZFXQCCJBTF-UHFFFAOYSA-N- Molecular formula
- C10H7F3N2O2
- Average molar mass
- 244.17 g/mol
- Monoisotopic mass
- 244.04596196
Names & identifiers
- Preferred name
- (2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid
- IUPAC
- 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid
- English name
- (2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid
- Molecular formula
- C10H7F3N2O2
- Molecular weight
- 244.17
Names & synonyms
313241-14-4(2-Trifluoromethyl-benzoimidazol-1-yl)-acetic acid[2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetic acid2-[2-(trifluoromethyl)benzimidazol-1-yl]acetic acid2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)acetic acidMFCD009947112-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetic acid2-[2-(trifluoromethyl)benzimidazolyl]acetic acid[2-(trifluoromethyl)-1h-benzimidazol-1-yl-]acetic acid(2-(trifluoromethyl)-1h-benzimidazol-1-yl)acetic acidMLS000060877Bionet2_000435
Show more names
AKOS B007035TIMTEC-BB SBB007026ART-CHEM-BB B0070352-[2-(trifluoromethyl)-1-benzimidazolyl]acetic acid1H-Benzimidazole-1-acetic acid, 2-(trifluoromethyl)-[2-(Trifluoromethyl)-1H-benzimidazol-1-yl]aceticacid97%[2-(Trifluoromethyl)-1H-benzimidazol-1-yl]acetic acid 97%
SCHEMBL4886070CHEMBL1885104DTXSID603501742-[2-(trifluoromethyl)-1h-1,3-benzimidazol-1-yl]acetic acidHMS1365D17HMS2436L16BBL009874SBB007026
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 248 °C · 248 °C
- Boiling point
- 363.4 · 363.4±42.0 °C(Predicted)
- Density
- 1.51 · 1.51±0.1 g/cm3(Predicted)
- pka
- 3.7 · 3.70±0.10(Predicted)
- CAS DataBase Reference
- 313241 · 313241-14-4(CAS DataBase Reference)
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Danger
- Hazard statements
- 304 · H304-H413-H227
- Precautionary statements
- 501 · P501-P273-P210-P280-P370+P378-P331-P301+P310-P403+P235-P405
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS08
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H304-H413-H227
- Precautionary statements
- P501-P273-P210-P280-P370+P378-P331-P301+P310-P403+P235-P405
Chemistry & industry
Suppliers12 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海炎泽化工有限公司15345144255 19901447308 · [email protected]
成都安普生医药科技有限公司13568817957 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
成都市汇成亨科技有限公司13521208972 639436996; 13521208972 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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