1H-Pyrazole,3-bromo-1-phenyl- supplier

Name
3-bromo-1-phenylpyrazole
EINECS
CAS No. 50877-46-8
Article Data3
CAS DataBase
Density 1.503 g/cm³
Solubility
Melting Point
Formula C₉H₇BrN₂
Boiling Point 296.238 °C at 760 mmHg
Molecular Weight 223.072
Flash Point 132.96 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pyrazole,3-bromo-1-phenyl- (7CI);1-Phenyl-3-bromopyrazole;3-Bromo-1-phenylpyrazole;
PSA 17.82000
LogP 2.63480

1H-Pyrazole,3-bromo-1-phenyl- Specification

The 1H-Pyrazole, 3-bromo-1-phenyl-, with the CAS registry number of 50877-46-8, is also known as 3-Bromo-1-phenylpyrazole. This chemical's molecular formula is C₉H₇BrN₂ and molecular weight is 223.0693. What's more, its systematic name is called 3-Bromo-1-phenyl-1H-pyrazole.

Physical properties about 1H-Pyrazole, 3-bromo-1-phenyl- are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 92; (6)ACD/BCF (pH 7.4): 92; (7)ACD/KOC (pH 5.5): 886; (8)ACD/KOC (pH 7.4): 886; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.82 Å²; (13)Index of Refraction: 1.64; (14)Molar Refractivity: 53.489 cm³; (15)Molar Volume: 148.404 cm³; (16)Surface Tension: 47.531 dyne/cm; (17)Density: 1.503 g/cm³; (18)Flash Point: 132.96 °C; (19)Enthalpy of Vaporization: 51.455 kJ/mol; (20)Boiling Point: 296.238 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.

Uses: it is used to produce other chemicals. For example, it is used to produce 1-Methyl-2-phenyl-5-bromopyrazolium chloride. The yield is about 96 %.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccn(n1)c2ccccc2
(2) InChI: InChI=1/C9H7BrN2/c10-9-6-7-12(11-9)8-4-2-1-3-5-8/h1-7H
(3) InChIKey: DNNFZHXAVGUVSU-UHFFFAOYAA

Product Name

3-bromo-1-phenylpyrazole

1H-Pyrazole,3-bromo-1-phenyl- Specification

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