CAS No.51516-67-7,5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51516-67-7
Name:	5-AMINO-1-(4-CHLOROPHENYL)-1H-PYRAZOLE-4-CARBONITRILE
Article Data:	23

Formula:	C₁₀H₇ClN₄
Molecular Weight:	218.645
Synonyms:	Pyrazole-4-carbonitrile,5-amino-1-(p-chlorophenyl)- (6CI);5-Amino-1-p-chlorophenyl-4-cyanopyrazole;5-Amino-4-cyano-1-(4-chlorophenyl)pyrazole;5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile;
Density:	1.41 g/cm³
Melting Point:	169-173 °C
Boiling Point:	424.2 °C at 760 mmHg
Flash Point:	210.4 °C
Hazard Symbols:	Xn
Risk Codes:	22-37/38-41-36/37/38-20/21/22
Safety:	26-36/39-36/37/39-22
PSA:	67.63000
LogP:	2.56078

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- China (Mainland)(26)
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Specification

The 1H-Pyrazole-4-carbonitrile,5-amino-1-(4-chlorophenyl)-, with the CAS registry number 51516-67-7, is also known as 5-Amino-4-cyano-1-(4-chlorophenyl)pyrazole. It belongs to the product categories of Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrazoles; PyrazolesHeterocyclic Building Blocks. This chemical's molecular formula is C₁₀H₇ClN₄ and molecular weight is 218.64. What's more, its systematic name is 5-Amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile. The product should be sealed and stored in containers which is placed in cool, ventilated and dry places. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust device.

Physical properties of 1H-Pyrazole-4-carbonitrile,5-amino-1-(4-chlorophenyl)- are: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.9; (4)ACD/LogD (pH 7.4): 1.9; (5)ACD/BCF (pH 5.5): 16.23; (6)ACD/BCF (pH 7.4): 16.23; (7)ACD/KOC (pH 5.5): 255.87; (8)ACD/KOC (pH 7.4): 255.87; (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: 1.686; (14)Molar Refractivity: 58.97 cm³; (15)Molar Volume: 154.9 cm³; (16)Polarizability: 23.37×10^-24cm³; (17)Surface Tension: 58.1 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 210.4 °C; (20)Enthalpy of Vaporization: 67.87 kJ/mol; (21)Boiling Point: 424.2 °C at 760 mmHg; (22)Vapour Pressure: 2.1E-07 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and has the risk of serious damage to eyes. Besides, it is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you can't breathe dust and you should wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc(n1ncc(C#N)c1N)cc2
(2)InChI: InChI=1S/C10H7ClN4/c11-8-1-3-9(4-2-8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
(3)InChIKey: WIWSALMJHPGFDY-UHFFFAOYSA-N