Basic information
- CAS
6831-89-6- Standard SMILES
c1ccc(-c2ccnn2-c2ccccc2)cc1- InChIKey
IDCXLYCLPHRSAZ-UHFFFAOYSA-N- Molecular formula
- C15H12N2
- Average molar mass
- 220.27 g/mol
- Monoisotopic mass
- 220.10004839
Names & identifiers
- Preferred name
- 1,5-Diphenyl-1H-pyrazole
- IUPAC
- 1,5-diphenylpyrazole
- English name
- 1,5-DIPHENYL-1H-PYRAZOLE
- Molecular formula
- C15H12N2
- Molecular weight
- 220.27
Names & synonyms
1,5-Diphenyl-1H-pyrazole6831-89-61,5-DiphenylpyrazoleMFCD00205331SCHEMBL695811SCHEMBL6986621,5-Diphenyl-1H-pyrazole #1H-Pyrazole, 1,5-diphenyl-SCHEMBL1155787DTXSID60346572IDCXLYCLPHRSAZ-UHFFFAOYSA-NGAA83189
Show more names
AKOS010625764AS-58264CS-0060509F17269Q63408808Z808584312
Database identifiers
- CAS
6831-89-6- PubChem CID
- 613283
- DTXSID
DTXSID60346572- Nikkaji
- J45.420F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 229
Physicochemical properties
- Melting point
- 100 · 100-103℃
- Boiling point
- 351.21 °C · 351.21°C (rough estimate)
- Density
- 1.0696 · 1.0696
- refractive index
- 1.5 · 1.5000 (estimate)
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-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
- P261-P305+P351+P338
Chemistry & industry
Suppliers9 total
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
上海药禾平生物医药科技有限公司57540919 13120888836 · [email protected]
南京凯莫森医药科技有限公司18114022054; 18114022054 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海源香科生物科技有限公司13248186658 · [email protected]
中山市聚科美生物科技有限公司13642727863
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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