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1810-66-8

Basic Information
CAS No.: 1810-66-8
Name: 2(1H)-Quinolinone,6-chloro-
Article Data: 31
Cas Database
Molecular Structure:
Molecular Structure of 1810-66-8 (2(1H)-Quinolinone,6-chloro-)
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;
EINECS: N/A
Density: 1.62 g/cm3
Melting Point: 278-280 °C
Boiling Point: 393.766 °C at 760 mmHg
Flash Point: 191.943 °C
Solubility: N/A
Appearance: Beige solid
Hazard Symbols: Xn
Risk Codes: 22-41
Safety: 26-39
Transport Information: N/A
PSA: 33.12000
LogP: 2.70290
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    6-BROMO-2(1H)-QUINOLONE CAS No.1810-66-8

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    1810-66-8

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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