Basic information
- CAS
2168336-69-2- Standard SMILES
O=Cc1nc2ccccc2n1C(F)(F)F- InChIKey
LZXMEOPTZHNMKJ-UHFFFAOYSA-N- Molecular formula
- C9H5F3N2O
- Average molar mass
- 214.14 g/mol
- Monoisotopic mass
- 214.03539727
Names & identifiers
- Preferred name
- 1-(trifluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde
- IUPAC
- 1-(trifluoromethyl)benzimidazole-2-carbaldehyde
Names & synonyms
1-(trifluoromethyl)-1H-1,3-benzodiazole-2-carbaldehyde2168336-69-2SCHEMBL315050731-(trifluoromethyl)benzimidazole-2-carbaldehydeEN300-22114748Z2787490092
Database identifiers
- CAS
2168336-69-2- PubChem CID
- 165999727
- EC Number
- 170-465-3
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 256
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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