4(3H)-Quinazolinone,6-bromo-2-methyl- supplier

Name
6-BROMO-2-METHYL-3,4-DIHYDROQUINAZOLIN-4-ONE
EINECS
CAS No. 5426-59-5
Article Data19
CAS DataBase
Density 1.72 g/cm³
Solubility
Melting Point 298 °C
Formula C₉H₇BrN₂O
Boiling Point 372.6 °C at 760 mmHg
Molecular Weight 239.071
Flash Point 179.1 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 22
Molecular Structure
Hazard Symbols
Synonyms 4-Quinazolinol, 6-bromo-2-methyl-;6-Bromo-2-methylquinazolin-4-ol;
PSA
LogP

4(3H)-Quinazolinone,6-bromo-2-methyl- Specification

The 4(3H)-Quinazolinone,6-bromo-2-methyl-, with the CAS registry number 5426-59-5, is also known as 4-Quinazolinol, 6-bromo-2-methyl- and 6-Bromo-2-methylquinazolin-4-ol. This chemical's molecular formula is C₉H₇BrN₂O and molecular weight is 239.0687. What's more, its IUPAC name is called 6-Bromo-2-methyl-1H-quinazolin-4-one.

Physical properties about 4(3H)-Quinazolinone,6-bromo-2-methyl- are: (1)ACD/LogP: 1.49; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 32.67 Å²; (7)Index of Refraction: 1.693; (8)Molar Refractivity: 53.25 cm³; (9)Molar Volume: 138.7 cm³; (10)Surface Tension: 52.4 dyne/cm; (11)Density: 1.72 g/cm³; (12)Flash Point: 179.1 °C; (13)Enthalpy of Vaporization: 61.97 kJ/mol; (14)Boiling Point: 372.6 °C at 760 mmHg; (15)Vapour Pressure: 9.53E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1ccc2N\C(=N/C(=O)c2c1)C
(2) InChI: InChI=1/C9H7BrN2O/c1-5-11-8-3-2-6(10)4-7(8)9(13)12-5/h2-4H,1H3,(H,11,12,13)
(3) InChIKey: MNYWPPKPTICBPZ-UHFFFAOYAT

Product Name

6-BROMO-2-METHYL-3,4-DIHYDROQUINAZOLIN-4-ONE

4(3H)-Quinazolinone,6-bromo-2-methyl- Specification

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