CAS No.214470-37-8,4-CHLORO-6-NITRO-QUINOLINE-3-CARBONITRILE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	214470-37-8
Name:	4-CHLORO-6-NITRO-QUINOLINE-3-CARBONITRILE
Article Data:	13

Formula:	C₁₀H₄ClN₃O₂
Molecular Weight:	233.614
Synonyms:	4-Chloro-6-nitro-quinoline-3-carbonitrile;
Density:	1.55 g/cm³
Boiling Point:	440.509 °C at 760 mmHg
Flash Point:	220.212 °C
PSA:	82.50000
LogP:	3.19128

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Specification

The 3-Quinolinecarbonitrile,4-chloro-6-nitro-, with the CAS registry number of 214470-37-8, is also known as 4-Chloro-6-nitro-quinoline-3-carbonitrile. It belongs to the product categories of Quinoline&Isoquinoline. This chemical's molecular formula is C₁₀H₄ClN₃O₂ and molecular weight is 233.61066. What's more, its IUPAC name is 4-Chloro-6-nitroquinoline-3-carbonitrile.

Physical properties about the 3-Quinolinecarbonitrile,4-chloro-6-nitro- are: (1)ACD/LogP: 2.93; (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): 19; (6)ACD/BCF (pH 7.4): 19; (7)ACD/KOC (pH 5.5): 287; (8)ACD/KOC (pH 7.4): 287; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 82.5 Å²; (13)Index of Refraction: 1.692; (14)Molar Refractivity: 57.537 cm³; (15)Molar Volume: 150.141 cm³; (16)Surface Tension: 79.039 dyne/cm; (17)Density: 1.556 g/cm³; (18)Flash Point: 220.212 °C; (19)Enthalpy of Vaporization: 69.765 kJ/mol; (20)Boiling Point: 440.509 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1ccc2ncc(C#N)c(Cl)c2c1
(2) InChI: InChI=1/C10H4ClN3O2/c11-10-6(4-12)5-13-9-2-1-7(14(15)16)3-8(9)10/h1-3,5H
(3) InChIKey: QRUCHOLKZVCUAH-UHFFFAOYAV