Basic information
- CAS
1175790-00-7- Standard SMILES
Cc1nn(-c2cccc(F)c2)c(C)c1C=O- InChIKey
YTXDWSBTEUPRHG-UHFFFAOYSA-N- Molecular formula
- C12H11FN2O
- Average molar mass
- 218.23 g/mol
- Monoisotopic mass
- 218.08554114
Names & identifiers
- Preferred name
- 1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde
Names & synonyms
1-(3-Fluorophenyl)-3,5-dimethyl-1H-pyrazole-4-carbaldehyde1175790-00-7ALBB-034694AKOS010813522H478801-(3-fluorophenyl)-3,5-dimethylpyrazole-4-carbaldehyde
Database identifiers
- CAS
1175790-00-7- PubChem CID
- 39243789
- EC Number
- 180-320-6
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 261
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, 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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