Basic information
- CAS
20518-17-6- Standard SMILES
Cc1ccc(-n2cccn2)cc1- InChIKey
XJYIPDKSWROWBM-UHFFFAOYSA-N- Molecular formula
- C10H10N2
- Average molar mass
- 158.2 g/mol
- Monoisotopic mass
- 158.08439833
Names & identifiers
- Preferred name
- 1-p-Tolyl-1H-pyrazole
- IUPAC
- 1-(4-methylphenyl)pyrazole
- English name
- 1-P-TOLYLPYRAZOLE
- Molecular formula
- C10H10N2
- Molecular weight
- 158.2
Names & synonyms
20518-17-61-p-Tolyl-1H-pyrazoleDTXSID00355628RefChem:232872DTXCID303066881-(p-tolyl)-1H-pyrazole1-p-Tolylpyrazole1-(4-methylphenyl)pyrazole1-(4-methylphenyl)-1H-pyrazole1H-Pyrazole, 1-(4-methylphenyl)-MFCD007487601-(p-Methylphenyl)pyrazole
Show more names
1-(P-tolyl)-1H-pyrazole - [T93854]
N-(p-tolyl)pyrazole1-(p-tolyl)pyrazoleBAS 00231898SCHEMBL827211-(4-tolyl)-1H-pyrazoleMLS000712353SCHEMBL671068SCHEMBL674972
Database identifiers
- CAS
20518-17-6- PubChem CID
- 809797
- DTXSID
DTXSID00355628- ChEMBL
CHEMBL1869783- Nikkaji
- J683.632A
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
Solubility2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 30 · 30-31 °C(Solv: ethanol (64-17-5))
- Boiling point
- 152 °C · 152 °C(Press: 30 Torr)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 0.36 · 0.36±0.10(Predicted)
- Appearance
- Yellow to brown Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- 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 statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers27 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
长沙麓兴生物科技有限公司0731-88827538 15574813303 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海纳谦化学科技有限公司13598610367 0373-7129549 · [email protected]
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
Related reactions
3 records
Compound notes
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