Phenol,4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)- supplier

Name
1-PHENYL-1H-5-(5'-BROMO-2'-HYDROXYPHENYL)PYRAZOLE
EINECS
CAS No. 213690-49-4
Density 1.47 g/cm³
Solubility
Melting Point
Formula C₁₅H₁₁BrN₂O
Boiling Point 436.1 °C at 760 mmHg
Molecular Weight 315.169
Flash Point 217.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol;1-Phenyl-1H-5-(5'-bromo-2'-hydroxyphenyl)pyrazole;
PSA 38.05000
LogP 4.00740

Phenol,4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)- Specification

The Phenol,4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)-, with the CAS registry number 213690-49-4, is also known as 1-Phenyl-1H-5-(5'-bromo-2'-hydroxyphenyl)pyrazole. This chemical's molecular formula is C₁₅H₁₁BrN₂O and molecular weight is 315.16. What's more, its systematic name is 4-Bromo-2-(1-phenyl-1H-pyrazol-5-yl)phenol and it belongs to the product category of Imidazoles, Pyrroles, Pyrazoles, Pyrrolidines.

Physical properties of Phenol,4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)- are: (1)ACD/LogP: 4.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.15; (4)ACD/LogD (pH 7.4): 4.14; (5)ACD/BCF (pH 5.5): 840.48; (6)ACD/BCF (pH 7.4): 815.35; (7)ACD/KOC (pH 5.5): 4314.49; (8)ACD/KOC (pH 7.4): 4185.47; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.05 Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 79.44 cm³; (15)Molar Volume: 213.9 cm³; (16)Polarizability: 31.49×10^-24cm³; (17)Surface Tension: 51.1 dyne/cm; (18)Density: 1.47 g/cm³; (19)Flash Point: 217.6 °C; (20)Enthalpy of Vaporization: 71.92 kJ/mol; (21)Boiling Point: 436.1 °C at 760 mmHg; (22)Vapour Pressure: 3.25E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3cc(c2ccnn2c1ccccc1)c(O)cc3
(2)InChI: InChI=1/C15H11BrN2O/c16-11-6-7-15(19)13(10-11)14-8-9-17-18(14)12-4-2-1-3-5-12/h1-10,19H
(3)InChIKey: HCGKUKCQPZDMJD-UHFFFAOYSA-N

Product Name

1-PHENYL-1H-5-(5'-BROMO-2'-HYDROXYPHENYL)PYRAZOLE

Phenol,4-bromo-2-(1-phenyl-1H-pyrazol-5-yl)- Specification

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