Basic information
- CAS
6587-23-1- Standard SMILES
FC(F)(F)c1nc2c(Br)cccc2[nH]1- InChIKey
MWSWJWXZVTVPEQ-UHFFFAOYSA-N- Molecular formula
- C8H4BrF3N2
- Average molar mass
- 265.03 g/mol
- Monoisotopic mass
- 263.951
Names & identifiers
- Preferred name
- Benzimidazole, 4-bromo-2-(trifluoromethyl)-
- IUPAC
- 4-bromo-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 4-Bromo-2-(trifluoromethyl)-1H-benzimidazole
- Molecular formula
- C8H4BrF3N2
- Molecular weight
- 265.03
Names & synonyms
6587-23-1BENZIMIDAZOLE, 4-BROMO-2-(TRIFLUOROMETHYL)-4-Bromo-2-(trifluoromethyl)benzimidazoleDTXSID00216048RefChem:325900DTXCID001385394-bromo-2-(trifluoromethyl)-1H-benzimidazole4-Bromo-2-(trifluoromethyl)-1H-benzo[d]imidazole4-bromo-2-(trifluoromethyl)-1H-1,3-benzodiazole7-Bromo-2-(trifluoromethyl)-1H-benzo[d]imidazoleMFCD01658374SCHEMBL30989189
Show more names
1H-Benzimidazole, 7-bromo-2-(trifluoromethyl)-4-bromo-2-(trifluoromethyl)-1H-1,3-benzodiazole - [AC80899]
MWSWJWXZVTVPEQ-UHFFFAOYSA-NAKOS023171102PS-7333DB-205702CS-0326718H53119F7265064-Bromo-2-(trifluoromethyl)-1H-1,3-benzimidazole
Database identifiers
- CAS
6587-23-1- PubChem CID
- 23063
- DTXSID
DTXSID00216048- Nikkaji
- J582.058H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 221
Physicochemical properties
- Melting point
- 155 · 155-156 °C
- Boiling point
- 323.4 · 323.4±42.0 °C(Predicted)
- Density
- 1.83 · 1.830±0.06 g/cm3(Predicted)
- pka
- 7.37 · 7.37±0.10(Predicted)
- form
- crystals
- color
- Cream
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H302+H312+H332-H315
- Precautionary statements
- 261 · P261-P271-P280
- 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
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H302+H312+H332-H315
- Precautionary statements
- P261-P271-P280
Chemistry & industry
Suppliers8 total
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
都创（上海）医药科技股份有限公司021-58099077-8041 18601625411 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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