Basic information
- CAS
399-69-9- Standard SMILES
FC(F)(F)c1ccc2nc(C(F)(F)F)[nH]c2c1- InChIKey
BKFXAUQYNCJXIZ-UHFFFAOYSA-N- Molecular formula
- C9H4F6N2
- Average molar mass
- 254.13 g/mol
- Monoisotopic mass
- 254.02786711
Names & identifiers
- Preferred name
- 2,6-Bis(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 2,6-bis(trifluoromethyl)-1H-benzimidazole
- English name
- 2,5-Bis(trifluoromethyl)-1H-benzimidazole
- Molecular formula
- C9H4F6N2
- Molecular weight
- 254.13
Names & synonyms
399-69-92,6-bis(trifluoromethyl)-1H-benzimidazoleBENZIMIDAZOLE, 2,5-BIS(TRIFLUOROMETHYL)-DTXSID50192944RefChem:1060220DTXCID901154352,5-Bis(trifluoromethyl)-1H-benzo[d]imidazole2,5-Bis(trifluoromethyl)benzimidazoleBRN 00272774-23-00-01150 (Beilstein Handbook Reference)SCHEMBL5681855SCHEMBL10694441
Show more names
ZERENEX E/60265182,5-Bis-(trifluormethyl)-benzimidazol2,5-Bis-trifluoromethyl-1H-benzoimidazole2,5-Bis(trifluoromethyl)-1H-benzimidazole1H-Benzimidazole, 2,6-bis(trifluoromethyl)-1H-BENZIMIDAZOLE, 2,5-BIS(TRIFLUOROMETHYL)-
BKFXAUQYNCJXIZ-UHFFFAOYSA-NAKOS0031973272,5-bis(trifluoromethyl)-benzimidazole2,6-Bis(trifluoromethyl)-1H-1,3-benzimidazoleQ63392124
Database identifiers
- CAS
399-69-9- PubChem CID
- 9814
- DTXSID
DTXSID50192944
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 286
Physicochemical properties
- Melting point
- 201 · 201-202 °C(Solv: ethanol (64-17-5))
- Boiling point
- 270.1 · 270.1±40.0 °C(Predicted)
- Density
- 1.567 · 1.567±0.06 g/cm3(Predicted)
- pka
- 7.47 · 7.47±0.10(Predicted)
- 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
Chemistry & industry
Suppliers5 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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