1-PHENYLPYRAZOLE CAS 1126-00-7

Introduction：Basic information about 1-PHENYLPYRAZOLE CAS 1126-00-7, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

1-PHENYLPYRAZOLE Basic information

• Product Name: 1-PHENYLPYRAZOLE
• Synonyms: N-Phenylpyrazole;Pyrazole, 1-phenyl-;AKOS B030594;1-PHENYLPYRAZOL;1-PHENYLPYRAZOLE;1-PHENYL-1H-PYRAZOLE;1H-Pyrazole, 1-phenyl-;1-Phenylpyrazole ,98%
• CAS: 1126-00-7
• MF: C9H8N2
• MW: 144.17
• EINECS: 214-415-1
• Product Categories: Building Blocks;Heterocyclic Building Blocks;Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines;Heterocyclic Compounds;Pyrazoles
• Mol File: 1126-00-7.mol

1-PHENYLPYRAZOLE Chemical Properties

• Melting point: 11°C(lit.)
• Boiling point: 141-142 °C/30 mmHg (lit.)
• density: 1.091 g/mL at 25 °C (lit.)
• refractive index: 1.594-1.598
• Fp: 109°C
• storage temp.: Sealed in dry,Room Temperature
• pka: 0.16±0.10(Predicted)
• form: clear liquid
• color: Colorless to Yellow
• Water Solubility: Soluble in water.
• λmax: 255nm(EtOH)(lit.)
• BRN: 2594
• InChI: 1S/C9H8N2/c1-2-5-9(6-3-1)11-8-4-7-10-11/h1-8H
• InChIKey: WITMXBRCQWOZPX-UHFFFAOYSA-N
• SMILES: c1ccc(cc1)-n2cccn2
• CAS DataBase Reference: 1126-00-7(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Pyrazole, 1-phenyl-(1126-00-7)

Safety Information

• Hazard Codes: Xi
• Risk Statements: 36/37/38
• Safety Statements: 37/39-26
• WGK Germany: 3
• HazardClass: IRRITANT
• HS Code: 29339900
• Storage Class: 10 - Combustible liquids
• Hazard Classifications: Eye Irrit. 2 Skin Irrit. 2 STOT SE 3

1-PHENYLPYRAZOLE Usage And Synthesis

Chemical Properties

clear yellow to brown liquid

Uses

1-Phenylpyrazole has been used:

• in the preparation of 4,5-diphenylpyrazolo[1,5-a]quinoline, 1-(1,2,3,4-tetraphenylnaphthalen-5-yl)pyrazole and 1-(1,2,3,4,5,6,7,8-octaphenylanthracen-9-yl)pyrazole
• as cyclometallated ligand in the preparation of new heteroleptic iridium(III) complexes

Definition

ChEBI: A member of the class of pyrazoles that is 1H-pyrazole substituted by a phenyl group at position 1.

General Description

1-Phenylpyrazole undergoes cyclometallation with rhodium trichloride to yield rac-di(μ-chloro)tetrakis[2-(pyrazol-1-yl)phenyl-C¹,N²′]dirhodium. The activation of the C-H bond of 1-phenylpyrazole autocatalyzed by the co-product HOAc was studied.

1-PHENYLPYRAZOLE Preparation Products And Raw materials

• Raw materials: Ethanol-->Dichloromethane-->Phenylhydrazine-->1,1,3,3-Tetramethoxypropane
• Preparation Products: 2-(1H-PYRAZOL-1-YL)BENZYLAMINE-->TAK-063-->4-(1H-PYRAZOL-1-YL)BENZENESULFONYL CHLORIDE-->1H-Pyrazole-5-ethanol, 1-phenyl-