4-chloro-6-(trifluoromethyl)-1H-benzimidazole
Basic information
- CAS
175135-13-4- Standard SMILES
FC(F)(F)c1cc(Cl)c2nc[nH]c2c1- InChIKey
MKRPZDBFYQLJPO-UHFFFAOYSA-N- Molecular formula
- C8H4ClF3N2
- Average molar mass
- 220.58 g/mol
- Monoisotopic mass
- 220.0015103
Names & identifiers
- Preferred name
- 4-chloro-6-(trifluoromethyl)-1H-benzimidazole
- IUPAC
- 4-chloro-6-(trifluoromethyl)-1H-benzimidazole
- English name
- 4-Chloro-6-(trifluoromethyl)benzimidazole
- Molecular formula
- C8H4ClF3N2
- Molecular weight
- 220.58
Names & synonyms
175135-13-44-chloro-6-(trifluoromethyl)-1H-benzimidazole4-Chloro-6-(trifluoromethyl)benzimidazole4-chloro-6-(trifluoromethyl)-1H-benzo[d]imidazole4-chloro-6-(trifluoromethyl)-1H-1,3-benzodiazole7-Chloro-5-(trifluoromethyl)-1H-benzo[d]imidazoleMFCD000677331H-Benzimidazole, 7-chloro-5-(trifluoromethyl)-SCHEMBL6665560SCHEMBL13898334SCHEMBL22361949DTXSID20371522
Show more names
BUTTPARK 91\04-104-CHLORO-6-TRIFLUOROMETHYL-1H-BENZIMIDAZOLE4-Chloro-6-(trifluoromethyl)benzimidazole97%4-Chloro-6-(trifluoromethyl)benzimidazole 97%1H-Benzimidazole,7-chloro-5-(trifluoromethyl)-7-chloro-5-(trifluoromethyl)-3aH-benzimidazole4-Chloro-6-(trifluoromethyl)-1H-benzimidazole97%4-Chloro-6-(trifluoromethyl)-1H-benzimidazole 97%
MKRPZDBFYQLJPO-UHFFFAOYSA-NSBB054575AKOS015911593TS-03154DB-044003CS-02071257-Chloro-5-(Trifluoromethyl)-1H-BenzimidazoleF004538
Database identifiers
- CAS
175135-13-4- PubChem CID
- 2736676
- DTXSID
DTXSID20371522
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
- 210 · 210-212°C
- Boiling point
- 354.991 · 354.991±37.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.569 · 1.569±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 9.127 · 9.127±0.30(predicted)
- CAS DataBase Reference
- 175135 · 175135-13-4(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 280 · P280-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-25
- Safety Statements
- 26 · 26-36-45
- Hazard Note
- 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
- risk_code
- 36/37/38-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36-45
- Hazard statements
- H302
- Precautionary statements
- P280-P305+P351+P338
Suppliers
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Related reactions
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Compound notes
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