Basic information
- CAS
1019012-13-5- Standard SMILES
COC(=O)c1cnn(-c2ccccc2)c1C=O- InChIKey
BOKKBTDWLJHRAX-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 5-Formyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl ester
- IUPAC
- methyl 5-formyl-1-phenylpyrazole-4-carboxylate
- English name
- BUTTPARK 153\57-06
- Molecular formula
- C12H10N2O3
- Molecular weight
- 230.22
Names & synonyms
1019012-13-5methyl 5-formyl-1-phenyl-1H-pyrazole-4-carboxylate5-Formyl-1-phenyl-1H-pyrazole-4-carboxylic acid methyl estermethyl 5-formyl-1-phenylpyrazole-4-carboxylateMFCD02090520DTXSID901228458SBB097572AKOS015852073AS-5157CS-0325463F316612methyl5-formyl-1-phenyl-1H-pyrazole-4-carboxylate
Show more names
BUTTPARK 153\57-061H-Pyrazole-4-carboxylic acid, 5-formyl-1-phenyl-, methyl ester
5-Formyl-1-phenyl-1H-pyrazole-4-carboxylic acidmethyl ester
Database identifiers
- CAS
1019012-13-5- PubChem CID
- 56832335
- DTXSID
DTXSID901228458
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 61.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 289
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
- HazardClass
- IRRITANT
- HS Code
- 2933199090 · 2933199090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers6 total
BUTTPARK[email protected]
COMBI-BLOCKS[email protected]
SYNQUEST[email protected]
MATRIX[email protected]
APOLLO-NMR[email protected]
高级化学中间体有限公司[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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