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51768-01-5

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Basic Information
CAS No.: 51768-01-5
Name: 2-AMINO-6-CHLORO-3,5-DICYANOPYRIDINE
Article Data: 13
Molecular Structure:
Molecular Structure of 51768-01-5 (2-AMINO-6-CHLORO-3,5-DICYANOPYRIDINE)
Formula: C7H3ClN4
Molecular Weight: 178.581
Synonyms: 2-Amino-6-chloro-3,5-dicyanopyridine;NSC 165528;2-amino-6-chloropyridine-3,5-dicarbonitrile;3,5-Pyridinedicarbonitrile, 2-amino-6-chloro-;
Density: 1.51 g/cm3
Melting Point: 280 °C
Boiling Point: 372.6 °C at 760 mmHg
Flash Point: 179.1 °C
Risk Codes: 20/21/22-36/37/38
Safety: 26-36/37/39
PSA: 86.49000
LogP: 1.64176
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Specification

The 3,5-Pyridinedicarbonitrile,2-amino-6-chloro-, with the CAS registry number 51768-01-5, has the systematic name and IUPAC name of 2-amino-6-chloropyridine-3,5-dicarbonitrile. It belongs to the product category of Pharmacetical. And the molecular formula of the chemical is C7H3ClN4.

The characteristics of 3,5-Pyridinedicarbonitrile,2-amino-6-chloro- are as followings: (1)ACD/LogP: 2.50; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.5; (4)ACD/LogD (pH 7.4): 2.5; (5)ACD/BCF (pH 5.5): 46.79; (6)ACD/BCF (pH 7.4): 46.79; (7)ACD/KOC (pH 5.5): 545.86; (8)ACD/KOC (pH 7.4): 545.86; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 63.71 Å2; (13)Index of Refraction: 1.635; (14)Molar Refractivity: 42.13 cm3; (15)Molar Volume: 117.5 cm3; (16)Polarizability: 16.7×10-24cm3; (17)Surface Tension: 89.2 dyne/cm; (18)Density: 1.51 g/cm3; (19)Flash Point: 179.1 °C; (20)Enthalpy of Vaporization: 61.97 kJ/mol; (21)Boiling Point: 372.6 °C at 760 mmHg; (22)Vapour Pressure: 9.53E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: N#Cc1cc(C#N)c(nc1Cl)N
(2)InChI: InChI=1/C7H3ClN4/c8-6-4(2-9)1-5(3-10)7(11)12-6/h1H,(H2,11,12)
(3)InChIKey: OKTHXARAGRKGBQ-UHFFFAOYAF