3,4-Dihydro-6-hydroxyquinazolin-4-one supplier

Name
6-HYDROXY-3,4-DIHYDROQUINAZOLONE
EINECS
CAS No. 16064-10-1
Article Data21
CAS DataBase
Density 1.49g/cm³
Solubility
Melting Point >300 °C
Formula C₈H₆N₂O₂
Boiling Point 416°C at 760mmHg
Molecular Weight 162.148
Flash Point 205.4°C
Transport Information
Appearance
Safety
Risk Codes Xi:Irritant;
Molecular Structure
Hazard Symbols Xi
Synonyms 4(1H)-Quinazolinone,6-hydroxy- (9CI);4,6-Dihydroxyquinazoline;6-Hydroxy-3,4-dihydroquinazolin-4-one;6-Hydroxy-3H-quinazolin-4-one;6-Hydroxy-4-quinazolinone;6-Hydroxyquinazolin-4(3H)-one;Quinazoline-4,6-diol;
PSA 65.98000
LogP 0.62870

3,4-Dihydro-6-hydroxyquinazolin-4-one Specification

The cas register number of 3,4-Dihydro-6-hydroxyquinazolin-4-one is 16064-10-1. It also can be called as 4(1H)-quinazolinone, 6-hydroxy- and the Systematic name about this chemical is 6-hydroxyquinazolin-4(1H)-one.

Physical properties about 3,4-Dihydro-6-hydroxyquinazolin-4-one are: (1)ACD/LogP: 0.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.03; (4)ACD/LogD (pH 7.4): 0.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 24.83; (8)ACD/KOC (pH 7.4): 24.37; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 41.9Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 42.12 cm³; (15)Molar Volume: 108.2 cm³; (16)Surface Tension: 62.6 dyne/cm; (17)Density: 1.49 g/cm³; (18)Flash Point: 205.4 °C; (19)Enthalpy of Vaporization: 69.51 kJ/mol; (20)Boiling Point: 416 °C at 760 mmHg; (21)Vapour Pressure: 1.64E-07 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: O=C2\N=C/Nc1ccc(O)cc12
2.InChI: InChI=1/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12)
3.InChIKey: QJRNXXLTDWMENM-UHFFFAOYAU
4.Std. InChI: InChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12)

Product Name

6-HYDROXY-3,4-DIHYDROQUINAZOLONE

3,4-Dihydro-6-hydroxyquinazolin-4-one Specification

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