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126417-82-1

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Basic Information
CAS No.: 126417-82-1
Name: 3-(4-CHLOROPHENYL)-1-METHYL-1H-PYRAZOL-5-AMINE
Article Data: 3
Molecular Structure:
Molecular Structure of 126417-82-1 (3-(4-CHLOROPHENYL)-1-METHYL-1H-PYRAZOL-5-AMINE)
Formula: C10H10ClN3
Molecular Weight: 207.662
Synonyms: 1-Methyl-3-(4-chlorophenyl)pyrazol-5-amine;3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-amine;
Density: 1.32 g/cm3
Melting Point: 150 °C
Boiling Point: 394.4 °C at 760 mmHg
Flash Point: 192.3 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 43.84000
LogP: 2.90390
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Specification

The 1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-methyl-, with the CAS registry number of 126417-82-1, is also known as 5-Amino-3-(4-chlorophenyl)-1-methyl-1H-pyrazole. This chemical's molecular formula is C10H10ClN3 and molecular weight is 207.66. What's more, its systematic name is called 3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-amine.

Physical properties about 1H-Pyrazol-5-amine, 3-(4-chlorophenyl)-1-methyl- are: (1)ACD/LogP: 0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): 0.93; (5)ACD/BCF (pH 5.5): 3.01; (6)ACD/BCF (pH 7.4): 3.02; (7)ACD/KOC (pH 5.5): 76.61; (8)ACD/KOC (pH 7.4): 76.82; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 21.06 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 56.87 cm3; (15)Molar Volume: 157.2 cm3; (16)Surface Tension: 47.6 dyne/cm; (17)Density: 1.32 g/cm3; (18)Flash Point: 192.3 °C; (19)Enthalpy of Vaporization: 64.44 kJ/mol; (20)Boiling Point: 394.4 °C at 760 mmHg; (21)Vapour Pressure: 1.99E-06 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, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing, gloves and eye/face protection. 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: Clc1ccc(cc1)c2nn(c(N)c2)C
(2) InChI: InChI=1/C10H10ClN3/c1-14-10(12)6-9(13-14)7-2-4-8(11)5-3-7/h2-6H,12H2,1H3
(3) InChIKey: ZSFCXTGPGSAWFT-UHFFFAOYAW