1-Methyl-5-phenylpyrazole

HCID 137947

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Basic information

CAS: 3463-27-2
Standard SMILES: Cn1nccc1-c1ccccc1
InChIKey: NLHYNCJBWXKZGP-UHFFFAOYSA-N
Molecular formula: C10H10N2
Average molar mass: 158.2 g/mol
Monoisotopic mass: 158.08439832

Names & identifiers

Preferred name: 1-Methyl-5-phenylpyrazole
IUPAC: 1-methyl-5-phenylpyrazole
English name: 1-Methyl-5-phenyl-1H-pyrazole
Molecular formula: C10H10N2
Molecular weight: 158.2

Names & synonyms

1-methyl-5-phenyl-1H-pyrazole3463-27-21-Methyl-5-phenylpyrazole1H-Pyrazole, 1-methyl-5-phenyl-MFCD146437061-methyl-5-phenyl-pyrazoleSCHEMBL61313SCHEMBL240197SCHEMBL535599SCHEMBL3926262SCHEMBL5331004SCHEMBL5966714

Show more names

1-methyl-5-phenylpyrazol5-Phenyl-1-methylpyrazole

SCHEMBL18706157DTXSID50188201NLHYNCJBWXKZGP-UHFFFAOYSA-NSBB073639AKOS005169503DS-6691DA-16840CS-0215305

Database identifiers

CAS: 3463-27-2
PubChem CID: 137947
DTXSID: DTXSID50188201
Nikkaji: J479.002B

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 17.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 12
Formal charge: 0
Complexity: 141

Physicochemical properties

Boiling point: 118 ℃ · 118℃ (12 Torr)
Density: 1.1192 · 1.1192 (rough estimate)
refractive index: 1.6392 · 1.6392 (estimate)
storage temp.: 2 · 2-8°C
pka: 2.09 · 2.09±0.10(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H312-H332
Precautionary statements: 261 · P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H312-H332
Precautionary statements: P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501