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1H-Pyrazol-5-amine,3-(4-chlorophenyl)-1-methyl-

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Name

1H-Pyrazol-5-amine,3-(4-chlorophenyl)-1-methyl-

EINECS N/A
CAS No. 126417-82-1 Density 1.32 g/cm3
PSA 43.84000 LogP 2.90390
Solubility N/A Melting Point 150 °C
Formula C10H10ClN3 Boiling Point 394.4 °C at 760 mmHg
Molecular Weight 207.662 Flash Point 192.3 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 126417-82-1 (3-(4-CHLOROPHENYL)-1-METHYL-1H-PYRAZOL-5-AMINE) Hazard Symbols IrritantXi
Synonyms

1-Methyl-3-(4-chlorophenyl)pyrazol-5-amine;3-(4-Chlorophenyl)-1-methyl-1H-pyrazol-5-amine;

Article Data 3

1H-Pyrazol-5-amine,3-(4-chlorophenyl)-1-methyl- 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

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