Basic information
- CAS
3671-47-4- Standard SMILES
Fc1ccc2nc(C(F)(F)F)[nH]c2c1- InChIKey
ZZRMDPMUZKDLTO-UHFFFAOYSA-N- Molecular formula
- C8H4F4N2
- Average molar mass
- 204.12 g/mol
- Monoisotopic mass
- 204.03106078
Names & identifiers
- Preferred name
- Benzimidazole, 5-fluoro-2-(trifluoromethyl)-
- IUPAC
- 6-fluoro-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 1H-Benzimidazole, 5-fluoro-2-(trifluoromethyl)-
- Molecular formula
- C8H4F4N2
- Molecular weight
- 204.12
Names & synonyms
3671-47-4BENZIMIDAZOLE, 5-FLUORO-2-(TRIFLUOROMETHYL)-5-Fluoro-2-(trifluoromethyl)benzimidazoleDTXSID70190169RefChem:325944DTXCID301126606-fluoro-2-(trifluoromethyl)-1H-benzimidazole6-Fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole5-Fluoro-2-(trifluoromethyl)-1H-benzo[d]imidazole5-fluoro-2-(trifluoromethyl)-1H-1,3-benzodiazoleMFCD016586085-fluoro-2-(trifluoromethyl)-1H-benzimidazole
Show more names
1H-Benzimidazole, 5-fluoro-2-(trifluoromethyl)-1H-Benzimidazole, 6-fluoro-2-(trifluoromethyl)-
ZZRMDPMUZKDLTO-UHFFFAOYSA-NALBB-033321MFCD18070968AKOS010204458LS-12617CS-00789885-Fluoro-2-trifluoromethyl-1H-benzoimidazoleH46888
Database identifiers
- CAS
3671-47-4- PubChem CID
- 19342
- DTXSID
DTXSID70190169- Nikkaji
- J3.613.831I
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- Melting point
- 220 · 220-221 °C(Solv: dichloromethane (75-09-2); cyclohexane (110-82-7))
- Boiling point
- 267.7 · 267.7±40.0 °C(Predicted)
- Density
- 1.536 · 1.536±0.06 g/cm3(Predicted)
- pka
- 9.05 · 9.05±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
Suppliers9 total
烟台正信新材料科技有限公司13854547682 13854547682 · [email protected]
苏州施亚生物科技有限公司86(512)5235 8471 17715136450 · [email protected]
苏州施亚生物科技有限公司0512-0512-52358471 17715136450 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海康源隆医药科技发展有限公司86727548 13764759612 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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