1H-Pyrazole-4-carbonitrile,5-amino-1-(3,4-dichlorophenyl)- supplier

Name
5-AMINO-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
EINECS
CAS No. 58791-78-9
Article Data7
CAS DataBase
Density 1.54 g/cm³
Solubility
Melting Point 170 °C
Formula C₁₀H₆Cl₂N₄
Boiling Point 460.9 °C at 760 mmHg
Molecular Weight 253.09
Flash Point 232.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 5-Amino-1-(3,4-dichlorophenyl)pyrazole-4-carbonitrile;
PSA 67.63000
LogP 3.21418

1H-Pyrazole-4-carbonitrile,5-amino-1-(3,4-dichlorophenyl)- Specification

The 1H-Pyrazole-4-carbonitrile,5-amino-1-(3,4-dichlorophenyl)-, with the CAS registry number 58791-78-9, is also known as 5-Amino-1-(3,4-dichlorophenyl)pyrazole-4-carbonitrile. This chemical's molecular formula is C₁₀H₆Cl₂N₄ and molecular weight is 253.09. What's more, its IUPAC name is 5-amino-1-(3,4-dichlorophenyl)pyrazole-4-carbonitrile. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of 1H-Pyrazole-4-carbonitrile,5-amino-1-(3,4-dichlorophenyl)- are: (1)ACD/LogP: 2.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.37; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 36.94; (6)ACD/BCF (pH 7.4): 36.94; (7)ACD/KOC (pH 5.5): 460.95; (8)ACD/KOC (pH 7.4): 460.95; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 44.85 Å²; (13)Index of Refraction: 1.701; (14)Molar Refractivity: 63.57 cm³; (15)Molar Volume: 164.2 cm³; (16)Polarizability: 25.2×10^-24cm³; (17)Surface Tension: 59.7 dyne/cm; (18)Density: 1.54 g/cm³; (19)Flash Point: 232.5 °C; (20)Enthalpy of Vaporization: 72.17 kJ/mol; (21)Boiling Point: 460.9 °C at 760 mmHg; (22)Vapour Pressure: 1.12E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2c(Cl)cc(n1ncc(C#N)c1N)cc2
(2)Std. InChI: InChI=1S/C10H6Cl2N4/c11-8-2-1-7(3-9(8)12)16-10(14)6(4-13)5-15-16/h1-3,5H,14H2
(3)Std. InChIKey: LIBPJAAKKFAEAT-UHFFFAOYSA-N

Product Name

5-AMINO-1-(3,4-DICHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE

1H-Pyrazole-4-carbonitrile,5-amino-1-(3,4-dichlorophenyl)- Specification

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