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2,3-Pyridinediamine,6-chloro- (40851-95-4)

Identification
Name:2,3-Pyridinediamine,6-chloro-
Synonyms:Pyridine,2,3-diamino-6-chloro- (6CI,7CI);2,3-Diamino-6-chloropyridine;6-Chloro-2,3-diaminopyridine;6-Chloropyridine-2,3-diamine;
CAS:40851-95-4
Molecular Formula: C5H6ClN3
Molecular Weight: 143.57
InChI: InChI=1/C5H6ClN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
Molecular Structure: (C5H6ClN3) Pyridine,2,3-diamino-6-chloro- (6CI,7CI);2,3-Diamino-6-chloropyridine;6-Chloro-2,3-diaminopyridine;6...
Properties
Density:1.448 g/cm3
Refractive index:1.685
Specification:

The 6-Chloro-2,3-diaminopyridine is an organic compound with the formula C5H6ClN3. The systematic name of this chemical is 6-chloropyridine-2,3-diamine. With the CAS registry number 40851-95-4, it is also named as 2,3-pyridinediamine, 6-chloro-.

Physical properties about 6-Chloro-2,3-diaminopyridine are: (1)ACD/LogP: 0.92; (2)ACD/LogD (pH 5.5): 1; (3)ACD/LogD (pH 7.4): 1; (4)ACD/BCF (pH 5.5): 7; (5)ACD/BCF (pH 7.4): 7; (6)ACD/KOC (pH 5.5): 146; (7)ACD/KOC (pH 7.4): 146; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 64.93 Å2; (12)Index of Refraction: 1.685; (13)Molar Refractivity: 37.711 cm3; (14)Molar Volume: 99.168 cm3; (15)Polarizability: 14.95×10-24cm3; (16)Surface Tension: 72.085 dyne/cm; (17)Density: 1.448 g/cm3; (18)Flash Point: 171.653 °C; (19)Enthalpy of Vaporization: 60.59 kJ/mol; (20)Boiling Point: 360.216 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1nc(N)c(N)cc1
(2)InChI: InChI=1/C5H6ClN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
(3)InChIKey: QEIRYIILFUVXAM-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C5H6ClN3/c6-4-2-1-3(7)5(8)9-4/h1-2H,7H2,(H2,8,9)
(5)Std. InChIKey: QEIRYIILFUVXAM-UHFFFAOYSA-N

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