CAS No.1810-66-8,6-BROMO-2(1H)-QUINOLONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1810-66-8
Name:	6-BROMO-2(1H)-QUINOLONE
Article Data:	31

Formula:	C₉H₆BrNO
Molecular Weight:	224.057
Synonyms:	Carbostyril,6-chloro- (6CI,7CI,8CI);6-Chloro-1H-quinolin-2-one;6-Chloro-2-hydroxyquinoline;6-Chlorocarbostyril;6-Chloroquinolin-2(1H)-one;NSC 298323;
Density:	1.62 g/cm³
Melting Point:	278-280 °C
Boiling Point:	393.766 °C at 760 mmHg
Flash Point:	191.943 °C
Appearance:	Beige solid
Hazard Symbols:	Xn
Risk Codes:	22-41
Safety:	26-39
PSA:	33.12000
LogP:	2.70290

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Specification

The 6-Bromo-2(1H)-quinolinone, with the CAS registry number 1810-66-8, has the systematic name of 6-bromoquinolin-2(1H)-one. It is a kind of beige solid, and belongs to the following product categories: Aromatics Compounds; Chiral Chemicals; Aromatics; Heterocycles. The molecular formula of the chemical is C₉H₆BrNO.

The characteristics of 6-Bromo-2(1H)-quinolinone are as followings: (1)ACD/LogP: 1.68; (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): 46; (6)ACD/BCF (pH 7.4): 46; (7)ACD/KOC (pH 5.5): 537; (8)ACD/KOC (pH 7.4): 537; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 29.1 Å²; (13)Index of Refraction: 1.63; (14)Molar Refractivity: 49.2 cm³; (15)Molar Volume: 138.272 cm³; (16)Polarizability: 19.504×10^-24cm³; (17)Surface Tension: 48.348 dyne/cm; (18)Density: 1.62 g/cm³; (19)Flash Point: 191.943 °C; (20)Enthalpy of Vaporization: 64.37 kJ/mol; (21)Boiling Point: 393.766 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1ccc2NC(=O)\C=C/c2c1
(2)InChI: InChI=1/C9H6BrNO/c10-7-2-3-8-6(5-7)1-4-9(12)11-8/h1-5H,(H,11,12)
(3)InChIKey: YLAFBGATSQRSTB-UHFFFAOYAS