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Basic Information
CAS No.: 40401-41-0
Name: 2-(3-CHLORO-PHENYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE
Article Data: 9
Molecular Structure:
Molecular Structure of 40401-41-0 (2-(3-CHLORO-PHENYL)-5-METHYL-2H-PYRAZOL-3-YLAMINE)
Formula: C10H10ClN3
Molecular Weight: 207.662
Synonyms: 1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine;1-(3-Chlorophenyl)-3-methylpyrazole-5-ylamine;2-(3-Chlorophenyl)-5-methyl-2H-pyrazol-3-yl amine;
Density: 1.32 g/cm3
Melting Point: 139-140oC
Boiling Point: 371.2 °C at 760 mmHg
Flash Point: 178.3 °C
Hazard Symbols: IrritantXi
PSA: 43.84000
LogP: 2.99750
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Specification

The 1H-Pyrazol-5-amine,1-(3-chlorophenyl)-3-methyl-, with the CAS registry number 40401-41-0, is also known as 1-(3-Chlorophenyl)-3-methyl-1H-pyrazol-5-amine. This chemical's molecular formula is C10H10ClN3 and molecular weight is 207.66. What's more, its IUPAC name is 2-(3-chlorophenyl)-5-methylpyrazol-3 amine. 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-Pyrazol-5-amine,1-(3-chlorophenyl)-3-methyl- are: (1)ACD/LogP: 1.89; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.88; (4)ACD/LogD (pH 7.4): 1.89; (5)ACD/BCF (pH 5.5): 15.81; (6)ACD/BCF (pH 7.4): 16.04; (7)ACD/KOC (pH 5.5): 250.07; (8)ACD/KOC (pH 7.4): 253.72; (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)Polarizability: 22.54×10-24cm3; (17)Surface Tension: 47.6 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 178.3 °C; (20)Enthalpy of Vaporization: 61.82 kJ/mol; (21)Boiling Point: 371.2 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-05 mmHg at 25°C.

Uses of 1H-Pyrazol-5-amine,1-(3-chlorophenyl)-3-methyl-: it can be used to produce 2-(3-chloro-phenyl)-5-methyl-4-thiocyanato-2H-pyrazol-3-ylamine at the temperature of 8°C. It will need reagent bromine and solvent acetic acid. The yield is about 91%.

1H-Pyrazol-5-amine,1-(3-chlorophenyl)-3-methyl- can be used to produce 2-(3-chloro-phenyl)-5-methyl-4-thiocyanato-2H-pyrazol-3-ylamine at the temperature of 8°C

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(c1)n2nc(cc2N)C
(2)Std. InChI: InChI=1S/C10H10ClN3/c1-7-5-10(12)14(13-7)9-4-2-3-8(11)6-9/h2-6H,12H2,1H3
(3)Std. InChIKey: YQXLXMSDCGPOLM-UHFFFAOYSA-N