1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]- supplier

Name
1-(2-CHLOROBENZYL)-1H-PYRAZOL-5-AMINE
EINECS
CAS No. 3524-28-5
Article Data4
CAS DataBase
Density 1.31 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₀ClN₃
Boiling Point 398.2 °C at 760 mmHg
Molecular Weight 207.662
Flash Point 194.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-[(2-Chlorophenyl)methyl]pyrazole-5-ylamine;1-(2-Chlorobenzyl)-1H-pyrazol-5-amine;
PSA 43.84000
LogP 2.74820

1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]- Specification

The 1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]-, with the CAS registry number 3524-28-5, is also known as 1-(2-Chlorobenzyl)-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-[(2-chlorophenyl)methyl]pyrazol-3-amine.

Physical properties of 1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]- are: (1)ACD/LogP: 1.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.09; (4)ACD/LogD (pH 7.4): 1.09; (5)ACD/BCF (pH 5.5): 3.97; (6)ACD/BCF (pH 7.4): 3.99; (7)ACD/KOC (pH 5.5): 93.26; (8)ACD/KOC (pH 7.4): 93.67; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 21.06 Å²; (13)Index of Refraction: 1.641; (14)Molar Refractivity: 57.05 cm³; (15)Molar Volume: 158.1 cm³; (16)Polarizability: 22.61×10^-24cm³; (17)Surface Tension: 50.1 dyne/cm; (18)Density: 1.31 g/cm³; (19)Flash Point: 194.6 °C; (20)Enthalpy of Vaporization: 64.88 kJ/mol; (21)Boiling Point: 398.2 °C at 760 mmHg; (22)Vapour Pressure: 1.5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccccc1Cn2nccc2N
(2)Std. InChI: InChI=1S/C10H10ClN3/c11-9-4-2-1-3-8(9)7-14-10(12)5-6-13-14/h1-6H,7,12H2
(3)Std. InChIKey: OMPYFUBKXQUIGG-UHFFFAOYSA-N

Product Name

1-(2-CHLOROBENZYL)-1H-PYRAZOL-5-AMINE

1H-Pyrazol-5-amine,1-[(2-chlorophenyl)methyl]- Specification

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