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56960-82-8

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Basic Information
CAS No.: 56960-82-8
Name: 2-AMINO-3-NITRO-5-CHLORO-6-PICOLINE
Molecular Structure:
Molecular Structure of 56960-82-8 (2-AMINO-3-NITRO-5-CHLORO-6-PICOLINE)
Formula: C6H6ClN3O2
Molecular Weight: 187.586
Synonyms: 2-AMINO-3-NITRO-5-CHLORO-6-PICOLINE;6-Amino-3-bromo-5-nitro-ALPHA-picoline;2-AMino-3-Nitro-5-Chloro-6-Methyl Pyridine
Density: 1.5 g/cm3
Boiling Point: 317.6 °C at 760 mmHg
Flash Point: 145.9 °C
PSA: 84.73000
LogP: 2.63820
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Specification

The 2-Pyridinamine,5-chloro-6-methyl-3-nitro-, with CAS registry number 56960-82-8, belongs to the following product category: Pyridine. It has the systematic name of 5-chloro-6-methyl-3-nitropyridin-2-amine. And the chemical formula of this chemical is C6H6ClN3O2.

Physical properties of 2-Pyridinamine,5-chloro-6-methyl-3-nitro-: (1)ACD/LogP: 3.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.24; (4)ACD/LogD (pH 7.4): 3.24; (5)ACD/BCF (pH 5.5): 171.22; (6)ACD/BCF (pH 7.4): 171.22; (7)ACD/KOC (pH 5.5): 1381.63; (8)ACD/KOC (pH 7.4): 1381.63; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 84.73 Å2; (13)Index of Refraction: 1.636; (14)Molar Refractivity: 44.84 cm3; (15)Molar Volume: 125 cm3; (16)Polarizability: 17.77×10-24cm3; (17)Surface Tension: 65.9 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 145.9 °C; (20)Enthalpy of Vaporization: 55.9 kJ/mol; (21)Boiling Point: 317.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000382 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1cc(Cl)c(C)nc1N
(2)InChI: InChI=1/C6H6ClN3O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3,(H2,8,9)
(3)InChIKey: FRXAFHSNZJIEII-UHFFFAOYAL
(4)Std. InChI: InChI=1S/C6H6ClN3O2/c1-3-4(7)2-5(10(11)12)6(8)9-3/h2H,1H3,(H2,8,9)
(5)Std. InChIKey: FRXAFHSNZJIEII-UHFFFAOYSA-N