CAS No.64096-89-5,5-AMINO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-4 Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	64096-89-5
Name:	5-AMINO-1-(2-CHLOROPHENYL)-1H-PYRAZOLE-4
Article Data:	11

Formula:	C₁₀H₇ClN₄
Molecular Weight:	218.645
Synonyms:	Pyrazole-4-carbonitrile,5-amino-1-(o-chlorophenyl)- (6CI);5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile;
Melting Point:	136-140 °C
Boiling Point:	433.947 °C at 760 mmHg
Flash Point:	216.244 °C
Hazard Symbols:	Xn
Risk Codes:	22-36-43
Safety:	26-36/37
Transport Information:	UN 2811
PSA:	67.63000
LogP:	2.56078

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Specification

The 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-chlorophenyl)-, with the CAS registry number 64096-89-5, is also known as 5-Amino-1-(2-chlorophenyl)-4-cyano-1H-pyrazole. It belongs to the product categories of Heterocyclic Compounds; Building Blocks; Halogenated Heterocycles; Heterocyclic Building Blocks; Pyrazoles; Pyrazoles Heterocyclic Building Blocks. This chemical's molecular formula is C₁₀H₇ClN₄ and molecular weight is 218.65. What's more, its systematic name is 5-Amino-1-(2-chlorophenyl)-1H-pyrazole-4-carbonitrile. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant.

Physical properties about 1H-Pyrazole-4-carbonitrile, 5-amino-1-(2-chlorophenyl)- are: (1)ACD/LogP: 1.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 16; (6)ACD/BCF (pH 7.4): 16; (7)ACD/KOC (pH 5.5): 256; (8)ACD/KOC (pH 7.4): 256; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 67.63 Å²; (13)Index of Refraction: 1.686; (14)Molar Refractivity: 58.971 cm³; (15)Molar Volume: 154.939 cm³; (16)Polarizability: 23.378×10^-24 cm³; (17)Surface Tension: 58.178 dyne/cm; (18)Density: 1.411 g/cm³; (19)Flash Point: 216.244 °C; (20)Enthalpy of Vaporization: 68.998 kJ/mol; (21)Boiling Point: 433.947 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes. In addition, this chemical is harmful if swallowed. And it may cause sensitisation by skin contact. During using it, wear suitable protective clothing and gloves. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1ccccc1n2ncc(C#N)c2N
(2) InChI: InChI=1/C10H7ClN4/c11-8-3-1-2-4-9(8)15-10(13)7(5-12)6-14-15/h1-4,6H,13H2
(3) InChIKey: FAKNEJZRRRHJEU-UHFFFAOYAK