3-Phenylpyrazole
Properties
- Molecular formula
- C9H8N2
- Molar mass
- 144.18 g/mol
- Exact mass
- 144.0687 Da
- Density
- 1.1037 g/mL (at 18.9 °C)
- Melting point
- 78 °C
- Boiling point
- 189–196 °C (at 20 Torr)
- logP
- 2.08Crippen estimate
- Polar surface area
- 28.7 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H302 Harmful if swallowed97.7% of notifiers
- H312 Harmful in contact with skin95.3% of notifiers
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H332 Harmful if inhaled95.3% of notifiers
- H335 May cause respiratory irritation97.7% of notifiers
Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
2458-26-6SMILES
c1ccc(-c2cc[nH]n2)cc1InChIKey
OEDUIFSDODUDRK-UHFFFAOYSA-NInChI
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-7-10-11-9/h1-7H,(H,10,11)Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- 1H-Pyrazole, 3-phenyl-
- Pyrazole, 3-phenyl-
- Pyrazole, 3(or 5)-phenyl-
- 3-Phenyl-1H-pyrazole
- 5-Phenyl-1H-pyrazole
- 5-Phenylpyrazole
Work with 3-Phenylpyrazole
Similar compounds
3-(2-Thienyl)-1H-pyrazole19933-24-547 % similar
2,6-Diphenylpyridine3558-69-844 % similar
2-Phenylimidazole670-96-243 % similar
3-Methyl-5-phenylpyrazole3347-62-442 % similar
2,4,6-Triphenyl-1,3,5-triazine493-77-642 % similar
5-Phenyltetrazole18039-42-441 % similar
2-Phenylpyridine1008-89-541 % similar
5-Methyl-2-phenylpyridine27012-22-239 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.