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148612-17-3

Basic Information
CAS No.: 148612-17-3
Name: 2-AMINO-5-CHLORO-4-METHYL-3-NITROPYRIDINE
Article Data: 6
Molecular Structure:
Molecular Structure of 148612-17-3 (2-AMINO-5-CHLORO-4-METHYL-3-NITROPYRIDINE)
Formula: C6H6ClN3O2
Molecular Weight: 187.586
Synonyms: 2-Amino-5-chloro-4-methyl-3-nitropyridine;
Density: 1.501 g/cm3
Boiling Point: 315.498 °C at 760 mmHg
Flash Point: 144.608 °C
PSA: 84.73000
LogP: 2.63820
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  • 2-AMINO-5-CHLORO-4-METHYL-3-NITROPYRIDINE CAS No.148612-17-3

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Specification

The CAS register number of 2-Amino-5-chloro-4-methyl-3-nitropyridine is 148612-17-3. It also can be called as 2-Amino-5-chloro-3-nitro-4-picoline and the systematic name about this chemical is 5-chloro-4-methyl-3-nitropyridin-2-amine. The molecular formula about this chemical is C6H6ClN3O2 and the molecular weight is 187.58. It belongs to the Pyridine.

Physical properties about 2-Amino-5-chloro-4-methyl-3-nitropyridine are: (1)ACD/LogP: 3.24; (2)ACD/LogD (pH 5.5): 3.24; (3)ACD/LogD (pH 7.4): 3.24; (4)ACD/BCF (pH 5.5): 171.22; (5)ACD/BCF (pH 7.4): 171.22; (6)ACD/KOC (pH 5.5): 1381.61; (7)ACD/KOC (pH 7.4): 1381.63; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 84.73Å2; (12)Index of Refraction: 1.636; (13)Molar Refractivity: 44.84 cm3; (14)Molar Volume: 125 cm3; (15)Polarizability: 17.77x10-24cm3; (16)Surface Tension: 65.9 dyne/cm; (17)Enthalpy of Vaporization: 55.67 kJ/mol; (18)Boiling Point: 315.5 °C at 760 mmHg; (19)Vapour Pressure: 0.000436 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1c(C)c(Cl)cnc1N
(2)InChI: InChI=1/C6H6ClN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)
(3)InChIKey: LLWKTQALVZANCU-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C6H6ClN3O2/c1-3-4(7)2-9-6(8)5(3)10(11)12/h2H,1H3,(H2,8,9)
(5)Std. InChIKey: LLWKTQALVZANCU-UHFFFAOYSA-N