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| CAS No.: | 173772-63-9 |
|---|---|
| Name: | 2,4-DICHLORO-3-AMINOPYRIDINE |
| Molecular Structure: | |
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| Formula: | C5H4Cl2N2 |
| Molecular Weight: | 163.006 |
| Synonyms: | Pyridine,3-amino-2,4-dichloro- (5CI);3-Amino-2,4-dichloropyridine;2,4-dichloropyridin-3-amine;3-pyridinamine, 2,4-dichloro-; |
| Density: | 1.498 g/cm3 |
| Boiling Point: | 264.977 °C at 760 mmHg |
| Flash Point: | 114.054 °C |
| PSA: | 38.91000 |
| LogP: | 2.55180 |
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Specification
The 3-Pyridinamine,2,4-dichloro-, with the CAS registry number 173772-63-9, has the systematic name and IUPAC name of 2,4-dichloropyridin-3-amine. It belongs to the following product categories: Halide; Pharmacetical; Pyridine. And the molecular formula of the chemical is C5H4Cl2N2.
The characteristics of 3-Pyridinamine,2,4-dichloro- are as followings: (1)ACD/LogP: 1.76; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 247; (8)ACD/KOC (pH 7.4): 247; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.91 Å2; (13)Index of Refraction: 1.623; (14)Molar Refractivity: 38.37 cm3; (15)Molar Volume: 108.839 cm3; (16)Polarizability: 15.211×10-24cm3; (17)Surface Tension: 56.952 dyne/cm; (18)Density: 1.498 g/cm3; (19)Flash Point: 114.054 °C; (20)Enthalpy of Vaporization: 50.288 kJ/mol; (21)Boiling Point: 264.977 °C at 760 mmHg; (22)Vapour Pressure: 0.009 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccnc(Cl)c1N
(2)InChI: InChI=1/C5H4Cl2N2/c6-3-1-2-9-5(7)4(3)8/h1-2H,8H2
(3)InChIKey: ZSJYSZWQVCWDQO-UHFFFAOYAI