Basic information
- CAS
371917-81-6- Standard SMILES
O=Cc1cn(-c2ccccc2)nc1-c1ccncc1- InChIKey
RPXJROJLJRFFOF-UHFFFAOYSA-N- Molecular formula
- C15H11N3O
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.09021198
Names & identifiers
- Preferred name
- 1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde
- English name
- 1-PHENYL-3-PYRIDIN-4-YL-1H-PYRAZOLE-4-CARBALDEHYDE
- Molecular formula
- C15H11N3O
- Molecular weight
- 249.27
Names & synonyms
1-Phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehydeRefChem:435618873-512-2371917-81-61-phenyl-3-pyridin-4-yl-1H-pyrazole-4-carbaldehyde1-phenyl-3-pyridin-4-ylpyrazole-4-carbaldehyde1-phenyl-3-(4-pyridinyl)-1H-pyrazole-4-carbaldehydeMFCD019097811-phenyl-3-(4-pyridyl)pyrazole-4-carbaldehydeCambridge id 5920292MLS000683290CHEMBL1340508
Show more names
CHEMBRDG-BB 59202921H-Pyrazole-4-carboxaldehyde, 1-phenyl-3-(4-pyridinyl)-1-phenyl-3-pyridin-4-yl-1H-pyrazole-4-carbaldehyde(SALTDATA: FREE)1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde1-phenyl-3-(pyridin-4-yl)-1H-pyrazole-4-carbaldehyde
SCHEMBL23928502DTXSID40358097HMS2733P22SBB076106AKOS001010510NS-03675SMR000267645DB-029032
Database identifiers
- CAS
371917-81-6- PubChem CID
- 877236
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 298
Experimental & physicochemical properties
Solubility>37.4 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 452.5 · 452.5±35.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 2.69 · 2.69±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers8 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
上海恬枫生物科技有限公司18717800556 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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