CAS No.364793-54-4,6-BROMO-4-CHLORO-QUINOLINE-3-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	364793-54-4
Name:	6-BROMO-4-CHLORO-QUINOLINE-3-CARBONITRILE
Article Data:	8

Formula:	C₁₀H₄BrClN₂
Molecular Weight:	267.512
Synonyms:	6-Bromo-4-chloro-3-quinolinecarbonitrile;6-Bromo-4-chloroquinoline-3-carbonitrile;
Density:	1.76 g/cm³
Melting Point:	146 - 148 °C
Boiling Point:	401.866 °C at 760 mmHg
Flash Point:	196.842 °C

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Specification

The 3-Quinolinecarbonitrile, 6-bromo-4-chloro-, with the CAS registry number 364793-54-4, is also known as 6-Bromo-4-chloro-3-quinolinecarbonitrile. This chemical's molecular formula is C₁₀H₄BrClN₂ and molecular weight is 267.51. What's more, its systematic name is 6-bromo-4-chloroquinoline-3-carbonitrile.

Physical properties of 3-Quinolinecarbonitrile, 6-bromo-4-chloro- are: (1)ACD/LogP: 3.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 108; (6)ACD/BCF (pH 7.4): 108; (7)ACD/KOC (pH 5.5): 992; (8)ACD/KOC (pH 7.4): 992; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 36.68 Å²; (13)Index of Refraction: 1.711 ; (14)Molar Refractivity: 59.225 cm³; (15)Molar Volume: 151.378 cm³; (16)Polarizability: 23.478×10^-24cm³; (17)Surface Tension: 72.465 dyne/cm; (18)Density: 1.767 g/cm³; (19)Flash Point: 196.842 °C; (20)Enthalpy of Vaporization: 65.294 kJ/mol; (21)Boiling Point: 401.866 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1ccc2ncc(C#N)c(Cl)c2c1
(2)Std. InChI: InChI=1S/C10H4BrClN2/c11-7-1-2-9-8(3-7)10(12)6(4-13)5-14-9/h1-3,5H
(3)Std. InChIKey: OCILRHPBZATKKG-UHFFFAOYSA-N