3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde
Basic information
- CAS
30241-46-4- Standard SMILES
Cc1nn(-c2ccccc2)c(Oc2ccccc2)c1C=O- InChIKey
PPEYODGHGWCLLE-UHFFFAOYSA-N- Molecular formula
- C17H14N2O2
- Average molar mass
- 278.3 g/mol
- Monoisotopic mass
- 278.10552769
Names & identifiers
- Preferred name
- 3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-methyl-5-phenoxy-1-phenylpyrazole-4-carbaldehyde
- English name
- 3-Methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C17H14N2O2
- Molecular weight
- 278.31
Names & synonyms
3-methyl-5-phenoxy-1-phenyl-1H-pyrazole-4-carbaldehyde30241-46-4DTXSID10368123RefChem:280969DTXCID203191613-methyl-5-phenoxy-1-phenylpyrazole-4-carbaldehyde3-methyl-1-phenyl-5-phenoxypyrazole-4-carbaldehydeMFCD02711484MLS000391700CHEMBL1491819HMS2607L04FBA24146
Show more names
1H-Pyrazole-4-carboxaldehyde, 3-methyl-5-phenoxy-1-phenyl-
SBB042454STK060342AKOS000121661SMR000260735ST45101877EN300-01085G22147SR-01000030109
Database identifiers
- CAS
30241-46-4- PubChem CID
- 2329092
- DTXSID
DTXSID10368123- ChEMBL
CHEMBL1491819- EC Number
- 978-675-4
- Nikkaji
- J2.332.898D
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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