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97944-40-6

Basic Information
CAS No.: 97944-40-6
Name: 4-Amino-3-chloro-2-methylpyridine
Article Data: 4
Molecular Structure:
Molecular Structure of 97944-40-6 (4-Amino-3-chloro-2-methylpyridine)
Formula: C6H7ClN2
Molecular Weight: 142.588
Synonyms: 3-Chloro-2-methyl-4-pyridinamine;
Density: 1.26 g/cm3
Melting Point: 104-106 °C
Boiling Point: 249.459 °C at 760 mmHg
Flash Point: 104.669 °C
Appearance: orange solid
PSA: 38.91000
LogP: 2.20680
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Specification

The 4-Pyridinamine,3-chloro-2-methyl- is an organic compound with the formula C6H7ClN2. The systematic name of this chemical is 3-chloro-2-methylpyridin-4-amine. With the CAS registry number 97944-40-6, it is also named as 4-Amino-3-chloro-2-methylpyridine. The product's categories are Pyridine; Pyridines.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 7.4): 1.49; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 6.23; (6)ACD/KOC (pH 5.5): 2.69; (7)ACD/KOC (pH 7.4): 95.94; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 38.91 Å2; (12)Index of Refraction: 1.592; (13)Molar Refractivity: 38.3 cm3; (14)Molar Volume: 113.1 cm3; (15)Polarizability: 15.18×10-24 cm3; (16)Surface Tension: 49.9 dyne/cm; (17)Density: 1.26 g/cm3; (18)Flash Point: 104.7 °C; (19)Enthalpy of Vaporization: 48.67 kJ/mol; (20)Boiling Point: 249.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0229 mmHg at 25°C.

Preparation of 4-Pyridinamine,3-chloro-2-methyl-: It can be obtained by 2-methyl-pyridin-4-ylamine. This reaction needs reagents Cl2 and H2SO4 at temperature of 0 °C. The reaction time is 2 hours. The yield is 64%.

Uses of 4-Pyridinamine,3-chloro-2-methyl-: It can be used to produce 3,4-dichloro-2-methylpyridine. This reaction needs reagent NaNO2 and conc. HCl. The yield is 96%.

People can use the following data to convert to the molecule structure.
1. SMILES:Nc1ccnc(C)c1Cl
2. InChI:InChI=1/C6H7ClN2/c1-4-6(7)5(8)2-3-9-4/h2-3H,1H3,(H2,8,9) 
3. InChIKey:AGWBEYQZGBQXLL-UHFFFAOYAB
4. Std. InChI:InChI=1S/C6H7ClN2/c1-4-6(7)5(8)2-3-9-4/h2-3H,1H3,(H2,8,9)
5. Std. InChIKey:AGWBEYQZGBQXLL-UHFFFAOYSA-N