CAS No.60233-66-1,5-Chloro-3H-quinazolin-4-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	60233-66-1
Name:	5-Chloro-3H-quinazolin-4-one
Article Data:	13

Formula:	C₈H₅ClN₂O
Molecular Weight:	180.593
Synonyms:	4(1H)-Quinazolinone,5-chloro- (6CI,9CI);5-Chloro-4-quinazolinone;NSC 601362;
Density:	1.5 g/cm³
Boiling Point:	353.6 °C at 760 mmHg
Flash Point:	167.7 °C
Hazard Symbols:	Xi
PSA:	45.75000
LogP:	1.57650

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Specification

The CAS register number of 5-Chloro-3H-quinazolin-4-one is 60233-66-1. It also can be called as 4(3H)-Quinazolinone,5-chloro- and the systematic name about this chemical is 5-chloroquinazolin-4(1H)-one. The molecular formula about this chemical is C₈H₅ClN₂O and the molecular weight is 180.59. It belongs to the following product categories, such as Blocks; Heterocycles; Quinolines; Alcohols and Derivatives and so on.

Physical properties about 5-Chloro-3H-quinazolin-4-one are: (1)ACD/LogP: 1.37; (2)ACD/LogD (pH 5.5): 1.37; (3)ACD/LogD (pH 7.4): 1.37; (4)ACD/BCF (pH 5.5): 6.42; (5)ACD/BCF (pH 7.4): 6.42; (6)ACD/KOC (pH 5.5): 131.7; (7)ACD/KOC (pH 7.4): 131.7; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67Å²; (11)Index of Refraction: 1.688; (12)Molar Refractivity: 45.87 cm³; (13)Molar Volume: 120.2 cm³; (14)Polarizability: 18.18x10^-24cm³; (15)Surface Tension: 55.1 dyne/cm; (16)Enthalpy of Vaporization: 59.86 kJ/mol; (17)Boiling Point: 353.6 °C at 760 mmHg; (18)Vapour Pressure: 3.54E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc2c1C(=O)\N=C/N2
(2)InChI: InChI=1/C8H5ClN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)
(3)InChIKey: ZDPCOXNOQQRKCN-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C8H5ClN2O/c9-5-2-1-3-6-7(5)8(12)11-4-10-6/h1-4H,(H,10,11,12)
(5)Std. InChIKey: ZDPCOXNOQQRKCN-UHFFFAOYSA-N