4-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]butanoic acid
Basic information
- CAS
876728-42-6- Standard SMILES
O=C(O)CCCn1c(C(F)(F)F)nc2ccccc21- InChIKey
HQUSGKZLJZMIHU-UHFFFAOYSA-N- Molecular formula
- C12H11F3N2O2
- Average molar mass
- 272.22 g/mol
- Monoisotopic mass
- 272.07726208
Names & identifiers
- Preferred name
- 4-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]butanoic acid
- IUPAC
- 4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
- English name
- 4-[2-(TRIFLUOROMETHYL)-1H-BENZIMIDAZOL-1-YL]BUTANOIC ACID
- Molecular formula
- C12H11F3N2O2
- Molecular weight
- 272.22
Names & synonyms
876728-42-64-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]butanoic acid4-(2-(Trifluoromethyl)-1H-benzo[d]imidazol-1-yl)butanoic acid4-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acidMFCD073974704-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]butanoic acid4-[2-(trifluoromethyl)benzimidazolyl]butanoic acid1H-Benzimidazole-1-butanoicacid, 2-(trifluoromethyl)-DTXSID304246394-[2-(Trifluoromethyl)-1H-benzimidazol-1-yl-]butanoic acidHMS1699O02SBB012162
Show more names
TIMTEC-BB SBB012162ASINEX-REAG BAS 131480864-[2-(trifluoromethyl)-1-benzimidazolyl]butanoic acid4-(2-TRIFLUOROMETHYL-BENZOIMIDAZOL-1-YL)-BUTYRIC ACID1H-Benzimidazole-1-butanoic acid, 2-(trifluoromethyl)-4-[2-(Trifluoromethyl)-1H-benzimidazol-1-yl]butanoicacid97%4-[2-(Trifluoromethyl)-1H-benzimidazol-1-yl]butanoic acid 97%
AKOS000283103MS-22439DB-057015CS-0319279ST50316878AQ-086/433838344-[2-(Trifluoromethyl)-1H-1,3-benzimidazol-1-yl]butanoic acid4-[2-(trifluoromethyl)-1H-benzimidazol-1-yl]butanoic acid, AldrichCPR
Database identifiers
- CAS
876728-42-6- PubChem CID
- 6494232
- DTXSID
DTXSID30424639
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 335
Physicochemical properties
- Melting point
- 143 °C · 143 °C
- Hazard Codes
- Xi,T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- HazardClass
- 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
- 25
- hazard_code
- Xi,T
- safety_code
- 45
- hazard_class
- IRRITANT
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…