Basic information
- CAS
36640-43-4- Standard SMILES
O=Cc1cn(-c2ccccc2)nc1-c1cccc(Cl)c1- InChIKey
KOAQEZYCWBZLFG-UHFFFAOYSA-N- Molecular formula
- C16H11ClN2O
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.0559907
Names & identifiers
- Preferred name
- 3-(3-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- IUPAC
- 3-(3-chlorophenyl)-1-phenylpyrazole-4-carbaldehyde
- English name
- 3-(3-Chloro-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
- Molecular formula
- C16H11ClN2O
- Molecular weight
- 0
Names & synonyms
36640-43-43-(3-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde3-(3-Chloro-phenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde3-(3-chlorophenyl)-1-phenylpyrazole-4-carbaldehydeDTXSID60359622LBA64043AKOS000115231CS-0218506EN300-01164G38175Z56855115
Database identifiers
- CAS
36640-43-4- PubChem CID
- 976568
- DTXSID
DTXSID60359622- Nikkaji
- J3.437.569K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
北京奥龙飞科技有限公司—
Ryan Scientific, Inc.[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ENAMINE-CHI[email protected]
UKRORGSYN-BB[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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