5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile supplier

Name
5-AMINO-1-(4-BROMOPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
EINECS
CAS No. 5334-28-1
Article Data12
CAS DataBase
Density 1.66 g/cm³
Solubility
Melting Point 168-170 °C
Formula C₁₀H₇BrN₄
Boiling Point 440.6 °C at 760 mmHg
Molecular Weight 263.096
Flash Point 220.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-bromophenyl)-;
PSA 67.63000
LogP 2.66988

5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile Specification

The 5-Amino-1-(4-bromophenyl)pyrazole-4-carbonitrile, with the CAS registry number 5334-28-1, is also known as 1H-Pyrazole-4-carbonitrile, 5-amino-1-(4-bromophenyl)-. This chemical's molecular formula is C₁₀H₇BrN₄ and molecular weight is 263.09. What's more, its IUPAC name is 5-Amino-1-(4-bromophenyl)pyrazole-4-carbonitrile.

Physical properties about 5-Amino-1-(4-bromophenyl)pyrazole-4-carbonitrile are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 44.85 Å²; (7)Index of Refraction: 1.711; (8)Molar Refractivity: 61.92 cm³; (9)Molar Volume: 158.1 cm³; (10)Polarizability: 24.54×10^-24 cm³; (11)Surface Tension: 61.2 dyne/cm; (12)Density: 1.66 g/cm³; (13)Flash Point: 220.3 °C; (14)Enthalpy of Vaporization: 69.77 kJ/mol; (15)Boiling Point: 440.6 °C at 760 mmHg; (16)Vapour Pressure: 5.82E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc2ccc(n1ncc(C#N)c1N)cc2
(2) InChI: InChI=1/C10H7BrN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
(3) InChIKey: VWTGKVYPKFTDSL-UHFFFAOYAF

Product Name

5-AMINO-1-(4-BROMOPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

5-Amino-1-(4-bromophenyl)-1H-pyrazole-4-carbonitrile Specification

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