Basic information
- CAS
956777-84-7- Standard SMILES
Cc1ccc(-c2nn(-c3ccccc3)cc2C=O)cc1C- InChIKey
HYMDDEKDKOPGOH-UHFFFAOYSA-N- Molecular formula
- C18H16N2O
- Average molar mass
- 276.3 g/mol
- Monoisotopic mass
- 276.12626314
Names & identifiers
- Preferred name
- 3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbaldehyde
Names & synonyms
3-(3,4-dimethylphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde956777-84-7RefChem:491474999-660-93-(3,4-dimethylphenyl)-1-phenylpyrazole-4-carbaldehydeSCHEMBL11264716AKOS001086642CS-0222655EN300-11210G19052Z570404693-(3,4-dimethylphenyl)-1-phenyl-pyrazole-4-carbaldehyde
Database identifiers
- CAS
956777-84-7- PubChem CID
- 976916
- EC Number
- 999-660-9
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
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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