5,6-Dimethyl-2-trifluoromethylbenzimidazole
Basic information
- CAS
1799-79-7- Standard SMILES
Cc1cc2nc(C(F)(F)F)[nH]c2cc1C- InChIKey
TWDHFGXLFNUIKC-UHFFFAOYSA-N- Molecular formula
- C10H9F3N2
- Average molar mass
- 214.19 g/mol
- Monoisotopic mass
- 214.07178278
Names & identifiers
- Preferred name
- 5,6-Dimethyl-2-trifluoromethylbenzimidazole
- IUPAC
- 5,6-dimethyl-2-(trifluoromethyl)-1H-benzimidazole
- English name
- 2-(Trifluoromethyl)-5,6-dimethyl-1H-benzimidazole
- Molecular formula
- C10H9F3N2
- Molecular weight
- 214.19
Names & synonyms
5,6-Dimethyl-2-trifluoromethylbenzimidazoleRefChem:528108634-033-21799-79-75,6-dimethyl-2-(trifluoromethyl)-1H-benzimidazole5,6-dimethyl-2-(trifluoromethyl)-1H-benzo[d]imidazoleBENZIMIDAZOLE, 5,6-DIMETHYL-2-TRIFLUOROMETHYL-MFCD000226761H-Benzimidazole, 5,6-dimethyl-2-(trifluoromethyl)-H8PX999RE72-(Trifluoromethyl)-5,6-dimethyl-1H-benzimidazoleNSC-97019
Show more names
5,6-Dimethyl-2-trifluormethyl-benzimidazol5,6-Dimethyl-2-trifluoromethyl-1H-benzimidazole
NSC 97019BRN 0613679NSC97019UNII-H8PX999RE75-23-06-00505 (Beilstein Handbook Reference)SCHEMBL7807160CHEMBL1946481DTXSID30170881
Database identifiers
- CAS
1799-79-7- PubChem CID
- 15725
- DTXSID
DTXSID30170881- ChEMBL
CHEMBL1946481- UNII
- H8PX999RE7
- EC Number
- 634-033-2
- Nikkaji
- J41.311I
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 305.3 · 305.3±42.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 10.41 · 10.41±0.10(Predicted)
- FDA UNII
- 8 PX999RE7 · H8PX999RE7
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H335
- Precautionary statements
- 280 · P280-P301+P310-P305+P351+P338
- 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.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301-H315-H319-H335
- Precautionary statements
- P280-P301+P310-P305+P351+P338
Related reactions
3 records
Compound notes
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