Basic information
- CAS
36640-50-3- Standard SMILES
O=Cc1cn(-c2ccccc2)nc1-c1cccnc1- InChIKey
FDZVXJJNBAJELS-UHFFFAOYSA-N- Molecular formula
- C15H11N3O
- Average molar mass
- 249.27 g/mol
- Monoisotopic mass
- 249.09021198
Names & identifiers
- Preferred name
- 1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde
- IUPAC
- 1-phenyl-3-pyridin-3-ylpyrazole-4-carbaldehyde
- English name
- 1-Phenyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C15H11N3O
- Molecular weight
- 249.27
Names & synonyms
36640-50-31-phenyl-3-(pyridin-3-yl)-1h-pyrazole-4-carbaldehydeDTXSID20358095RefChem:233145DTXCID503091511-Phenyl-3-pyridin-3-yl-1H-pyrazole-4-carbaldehyde1-phenyl-3-pyridin-3-ylpyrazole-4-carbaldehydeMFCD019097751-phenyl-3-(3-pyridinyl)-1H-pyrazole-4-carbaldehyde1-phenyl-3-(3-pyridyl)pyrazole-4-carbaldehydeCambridge id 5919482MLS000683292
Show more names
1H-Pyrazole-4-carboxaldehyde, 1-phenyl-3-(3-pyridinyl)-JR-2379, 1-Phenyl-3-(pyridin-3-yl)-1H-pyrazole-4-carbaldehyde, 97%
CHEMBL1391034SCHEMBL11244212HMS2717B03SBB042562AKOS000115328SMR000267644CS-0218445EN300-00992
Database identifiers
- CAS
36640-50-3- PubChem CID
- 877232
- DTXSID
DTXSID20358095- ChEMBL
CHEMBL1391034- EC Number
- 139-593-7
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
- 304
Experimental & physicochemical properties
Solubility18.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 465.3 · 465.3±35.0 °C(Predicted)
- Density
- 1.2 · 1.20±0.1 g/cm3(Predicted)
- pka
- 2.95 · 2.95±0.12(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- P280-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海语锌医药科技有限公司15921286451; 15921286451 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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