Basic information
- CAS
73387-59-4- Standard SMILES
Cn1ccc(-c2ccc([N+](=O)[O-])cc2)n1- InChIKey
FYIRDRMAQFLXCT-UHFFFAOYSA-N- Molecular formula
- C10H9N3O2
- Average molar mass
- 203.2 g/mol
- Monoisotopic mass
- 203.06947654
Names & identifiers
- Preferred name
- 1-Methyl-3-(4-nitrophenyl)-1H-pyrazole
- IUPAC
- 1-methyl-3-(4-nitrophenyl)pyrazole
- English name
- 1H-Pyrazole, 1-methyl-3-(4-nitrophenyl)-
- Molecular formula
- C10H9N3O2
- Molecular weight
- 203.2
Names & synonyms
1-Methyl-3-(4-nitrophenyl)-1H-pyrazole73387-59-4DTXSID60346032RefChem:231723DTXCID502971051-methyl-3-(4-nitrophenyl)pyrazole1-methyl-3-(4-nitro-phenyl)-1H-pyrazoleMFCD001793564-(1-Methylpyrazol-3-yl)nitrobenzenePyrazole, 1-methyl-3-(4-nitrophenyl)-1H-Pyrazole, 1-methyl-3-(4-nitrophenyl)-SCHEMBL4629018
Show more names
SBB093105AKOS015996771AS-5664DA-292071-Methyl-3-(4-nitrophenyl)-1H-pyrazole #CS-0300731EN300-764490F317515
Database identifiers
- CAS
73387-59-4- PubChem CID
- 608939
- DTXSID
DTXSID60346032- Nikkaji
- J2.695.889J
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 142 °C · 142 °C
- Boiling point
- 364.2 · 364.2±17.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 0.63 · 0.63±0.10(Predicted)
- 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
Chemistry & industry
Suppliers4 total
郑州为易化工产品有限公司0371-88888888 qq272369594;2159423853qq · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Cochemical Co. Ltd.+86-029-86115547 +86-17791676824 · [email protected]
湖北偕丰医药科技有限公司2383948258 19172820304 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…