2-Amino-7-chloro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile supplier

Name
2-AMINO-7-CHLORO-5-OXO-5H-(1)BENZOPYRANO-(2,3-B)-PYRIDINE-3-CARBONITRILE
EINECS
CAS No. 68302-10-3
Article Data3
CAS DataBase
Density 1.62 g/cm³
Solubility
Melting Point >300 °C(lit.)
Formula C₁₃H₆ClN₃O₂
Boiling Point 568.7 °C at 760 mmHg
Molecular Weight 271.66
Flash Point 297.8 °C
Transport Information
Appearance
Safety 26-36
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 2-(4-Methoxybenzyloxy)-5-(trifluoromethyl)pyridine;N-Benzyl-5-chloro-3-fluoropyridin-2-amine;2,2'-Bipyridine-3,3'-dicarbonitrile;
PSA 92.91000
LogP 3.02968

2-Amino-7-chloro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile Specification

This product is an organic compound with the formula C₁₃H₆ClN₃O₂. The systematic name of this chemical is 2-Amino-7-chloro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile. With the CAS registry number 68302-10-3, it is also named as 5H-[1]Benzopyrano[2,3-b]pyridine-3-carbonitrile, 2-amino-7-chloro-5-oxo-. In addition, the molecular weight is 271.66.

Physical properties of 2-Amino-7-chloro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.18; (4)ACD/LogD (pH 7.4): 3.18; (5)ACD/BCF (pH 5.5): 153.06; (6)ACD/BCF (pH 7.4): 153.06; (7)ACD/KOC (pH 5.5): 1275.07; (8)ACD/KOC (pH 7.4): 1275.07; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 66.22 Å²; (13)Index of Refraction: 1.729; (14)Molar Refractivity: 66.7 cm³; (15)Molar Volume: 167.2 cm³; (16)Polarizability: 26.44×10^-24cm³; (17)Surface Tension: 92.1 dyne/cm; (18)Density: 1.62 g/cm³; (19)Flash Point: 297.8 °C; (20)Enthalpy of Vaporization: 85.34 kJ/mol; (21)Boiling Point: 568.7 °C at 760 mmHg; (22)Vapour Pressure: 5.98E-13 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2cc1C(=O)c3cc(C#N)c(nc3Oc1cc2)N
(2)Std. InChI: InChI=1S/C13H6ClN3O2/c14-7-1-2-10-8(4-7)11(18)9-3-6(5-15)12(16)17-13(9)19-10/h1-4H,(H2,16,17)
(3)Std. InChIKey: CRDSZSMHAAGKEY-UHFFFAOYSA-N

Product Name

2-AMINO-7-CHLORO-5-OXO-5H-(1)BENZOPYRANO-(2,3-B)-PYRIDINE-3-CARBONITRILE

2-Amino-7-chloro-5-oxo-5H-chromeno[2,3-b]pyridine-3-carbonitrile Specification

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