Basic information
- CAS
114164-97-5- Standard SMILES
Cc1nc2ccc(OC(F)(F)F)cc2[nH]1- InChIKey
BSROJRWZJKELNS-UHFFFAOYSA-N- Molecular formula
- C9H7F3N2O
- Average molar mass
- 216.16 g/mol
- Monoisotopic mass
- 216.05104734
Names & identifiers
- Preferred name
- 2-Methyl-5-(trifluoromethoxy)-1H-benzo[d]imidazole
- IUPAC
- 2-methyl-6-(trifluoromethoxy)-1H-benzimidazole
- English name
- 2-Methyl-5-trifluoromethoxybenzimidazole
- Molecular formula
- C9H7F3N2O
- Molecular weight
- 216.16
Names & synonyms
114164-97-52-Methyl-5-(trifluoromethoxy)-1H-benzo[d]imidazole2-METHYL-5-(TRIFLUOROMETHOXY)BENZOIMIDAZOLE2-methyl-6-(trifluoromethoxy)-1H-benzimidazole2-METHYL-5-TRIFLUOROMETHOXYBENZIMIDAZOLEMFCD066598131H-Benzimidazole, 2-methyl-6-(trifluoromethoxy)-SCHEMBL10146526SCHEMBL11903454DTXSID40653150BSROJRWZJKELNS-UHFFFAOYSA-NAKOS015842194
Show more names
AB26374BS-19250CS-0080655D742382-Methyl-6-(trifluoromethoxy)-1H-1,3-benzimidazole
Database identifiers
- CAS
114164-97-5- PubChem CID
- 35339259
- DTXSID
DTXSID40653150
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Physicochemical properties
- Melting point
- 132 · 132-133 °C
- Boiling point
- 319.1 · 319.1±37.0 °C(Predicted)
- Density
- 1.424 · 1.424±0.06 g/cm3(Predicted)
- storage temp.
- 2 · Sealed in dry,2-8°C
- pka
- 10.53 · 10.53±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers9 total
杭州鸿喜生物医药科技有限公司18989489206 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
杭州博洛科生物科技有限公司13757158499; 13757158499 · [email protected]
北京珐默兹医药科技有限公司010-80339217; 13331045123 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [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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