4(1H)-Quinazolinone,6-chloro-2,3-dihydro-3-phenyl-2-thioxo- supplier

Name
6-CHLORO-3-PHENYL-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE
EINECS
CAS No. 84772-27-0
Article Data12
CAS DataBase
Density 1.5 g/cm³
Solubility
Melting Point >350 °C
Formula C₁₄H₉ClN₂OS
Boiling Point 455.1 °C at 760 mmHg
Molecular Weight 288.757
Flash Point 229.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 4(3H)-Quinazolinone,6-chloro-2-mercapto-3-phenyl- (7CI);6-Chloro-2,3-dihydro-3-phenyl-2-thioxo-1H-quinazolin-4-one;6-Chloro-3-phenyl-2-thioxo-2,3-dihydro-4(1H)-quinazolinone;6-Chloro-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one;
PSA 69.88000
LogP 3.70170

4(1H)-Quinazolinone,6-chloro-2,3-dihydro-3-phenyl-2-thioxo- Specification

The 4(1H)-Quinazolinone,6-chloro-2,3-dihydro-3-phenyl-2-thioxo-, with the CAS registry number 84772-27-0, is also known as 6-Chloro-2,3-dihydro-3-phenyl-2-thioxo-1H-quinazolin-4-one. This chemical's molecular formula is C₁₄H₉ClN₂OS and molecular weight is 288.75. What's more, its systematic name is 6-chloro-3-phenyl-2-thioxo-2,3-dihydroquinazolin-4(1H)-one.

Physical properties of 4(1H)-Quinazolinone,6-chloro-2,3-dihydro-3-phenyl-2-thioxo- are: (1)ACD/LogP: 3.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 3.29; (5)ACD/BCF (pH 5.5): 185.22; (6)ACD/BCF (pH 7.4): 185.1; (7)ACD/KOC (pH 5.5): 1461.56; (8)ACD/KOC (pH 7.4): 1460.58; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 55.64 Å²; (13)Index of Refraction: 1.753; (14)Molar Refractivity: 78.26 cm³; (15)Molar Volume: 191.4 cm³; (16)Polarizability: 31.02×10^-24cm³; (17)Surface Tension: 78.4 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 229.1 °C; (20)Enthalpy of Vaporization: 71.48 kJ/mol; (21)Boiling Point: 455.1 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-08 mmHg at 25°C.

Uses of 4(1H)-Quinazolinone,6-chloro-2,3-dihydro-3-phenyl-2-thioxo-: it can be used to produce 2-chloro-benzo[4,5]thiazolo[2,3-b]quinazolin-12-one at the temperature of 70 °C. It will need reagents NBS, conc. H₂SO₄ with the reaction time of 7 hours. The yield is about 83%.

4(1H)-Quinazolinone,6-chloro-2,3-dihydro-3-phenyl-2-thioxo- can be used to produce 2-chloro-benzo[4,5]thiazolo[2,3-b]quinazolin-12-one at the temperature of 70 °C

You can still convert the following datas into molecular structure:
(1)SMILES: Clc3ccc1c(C(=O)N(C(=S)N1)c2ccccc2)c3
(2)InChI: InChI=1S/C14H9ClN2OS/c15-9-6-7-12-11(8-9)13(18)17(14(19)16-12)10-4-2-1-3-5-10/h1-8H,(H,16,19)
(3)InChIKey: PXFAKLISLYPZTC-UHFFFAOYSA-N

Product Name

6-CHLORO-3-PHENYL-2-THIOXO-2,3-DIHYDRO-4(1H)-QUINAZOLINONE

4(1H)-Quinazolinone,6-chloro-2,3-dihydro-3-phenyl-2-thioxo- Specification

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