1-Phenylpyrazole

• Catalog Number: ACM1126007
• Product Name: 1-Phenylpyrazole
• CAS: 1126-00-7
• Category: Heterocyclic Organic Compound
• Synonyms: N-Phenylpyrazole;Pyrazole, 1-phenyl-;AKOS B030594;1-PHENYLPYRAZOL;1-PHENYLPYRAZOLE;1-PHENYL-1H-PYRAZOLE;1H-Pyrazole, 1-phenyl-;1-Phenylpyrazole ,98%
• IUPAC Name: 1-phenylpyrazole
• Molecular Weight: 144.17g/mol
• Molecular Formula: C9H8N2
• Canonical SMILES: C1=CC=C(C=C1)N2C=CC=N2
• InChI: InChI=1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
• InChI Key: WITMXBRCQWOZPX-UHFFFAOYSA-N
• Boiling Point: 141-142°C (30 mmHg)
• Flash Point: 109°C
• Density: 1.09
• Complexity: 119
• Covalently-Bonded Unit Count: 1
• EC Number: 214-415-1
• Exact Mass: 144.068748g/mol
• Formal Charge: 0
• Hazard Statements: Xi
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 11
• LogP: 2.2 (LogP)
• Monoisotopic Mass: 144.068748g/mol
• NSC Number: 65588
• Rotatable Bond Count: 1
• Safety Description: 37/39-26
• Supplemental Hazard Statements: H315-H319-H335
• Symbol: GHS07
• XLogP3: 2.2