4(3H)-Quinazolinone, 2-chloro-6-fluoro- supplier

Name
2-CHLORO-6-FLUOROQUINAZOLIN-4(3H)-ONE
EINECS
CAS No. 769158-12-5
Article Data5
CAS DataBase
Density 1.61 g/cm³
Solubility
Melting Point
Formula C₈H₄ClFN₂O
Boiling Point 339.8 °C at 760 mmHg
Molecular Weight 198.584
Flash Point 159.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4(1H)-Quinazolinone, 2-chloro-6-fluoro- (9CI);
PSA 45.75000
LogP 1.71560

4(3H)-Quinazolinone, 2-chloro-6-fluoro- Specification

The 4(3H)-Quinazolinone, 2-chloro-6-fluoro-, with the CAS registry number 769158-12-5, is also known as 2-Chloro-6-fluoroquinazolin-4(1H)-one. This chemical's molecular formula is C₈H₄ClFN₂O and molecular weight is 198.5816. What's more, its IUPAC name is called 2-Chloro-6-fluoro-1H-quinazolin-4-one.

Physical properties about 4(3H)-Quinazolinone, 2-chloro-6-fluoro- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.1; (6)ACD/BCF (pH 7.4): 13.1; (7)ACD/KOC (pH 5.5): 219.43; (8)ACD/KOC (pH 7.4): 219.43; (9)#H bond acceptors: 3; (10) #H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 45.74 cm³; (15)Molar Volume: 123.2 cm³; (16)Surface Tension: 50.1 dyne/cm; (17)Density: 1.61 g/cm³; (18)Flash Point: 159.3 °C; (19)Enthalpy of Vaporization: 58.32 kJ/mol; (20)Boiling Point: 339.8 °C at 760 mmHg; (21)Vapour Pressure: 9E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc1ccc2NC(\Cl)=N/C(=O)c2c1
(2) InChI: InChI=1/C8H4ClFN2O/c9-8-11-6-2-1-4(10)3-5(6)7(13)12-8/h1-3H,(H,11,12,13)
(3) InChIKey: CBHYEOLZQCLMSY-UHFFFAOYAQ

Product Name

2-CHLORO-6-FLUOROQUINAZOLIN-4(3H)-ONE

4(3H)-Quinazolinone, 2-chloro-6-fluoro- Specification

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