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| CAS No.: | 16064-10-1 |
|---|---|
| Name: | 6-HYDROXY-3,4-DIHYDROQUINAZOLONE |
| Article Data: | 21 |
| Cas Database | |
| Molecular Structure: | |
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| Formula: | C8H6N2O2 |
| Molecular Weight: | 162.148 |
| 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; |
| Density: | 1.49g/cm3 |
| Melting Point: | >300 °C |
| Boiling Point: | 416°C at 760mmHg |
| Flash Point: | 205.4°C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | Xi:Irritant; ">  Xi:Irritant; |
| PSA: | 65.98000 |
| LogP: | 0.62870 |
- 16064-14-54(3H)-Quinazolinone,6-chloro-
- 16064-19-06,7,8-Trimethoxyquinazolin-4(3H)-one
- 16064-21-44(1H)-Quinazolinone,2,3,5,6,7,8-hexahydro-2-thioxo-
- 16064-24-74(3H)-Quinazolinone,7-methoxy-
- 160647-01-8Benzenemethanol,2,6-dichloro-3-nitro-
- 1606-49-1Pyrimidine,1,4,5,6-tetrahydro-
- 160656-62-2Dibenzothiophenium,3-sulfo-5-(trifluoromethyl)-, inner salt
- 160657-11-4Pyridine,6-methoxy-3-nitro-2-(1H-pyrrol-1-yl)-
- 160658-68-43-Fluoro-4-chlorobenzyl chloride
- 16066-10-7Cyclotetrasiloxane,2,4,6,8-tetraethyl-
- Total:23 Page 1 of 1 1
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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)