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| CAS No.: | 607-69-2 |
|---|---|
| Name: | 2-CHLORO-4-HYDROXYQUINAZOLINE |
| Molecular Structure: | |
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| Formula: | C8H5ClN2O |
| Molecular Weight: | 180.593 |
| Synonyms: | 4(1H)-Quinazolinone,2-chloro- (9CI);2-Chloro-3,4-dihydro-4-oxoquinazoline;2-Chloro-4(1H)-quinazolinone;2-Chloro-4(3H)-quinazolinone;2-Chloro-4-hydroxyquinazoline;2-Chloro-4-quinazolinol;2-Chloroquinazolin-4-one; |
| Density: | 1.5 g/cm3 |
| Melting Point: | 218-220℃ |
| Boiling Point: | 325.9 °C at 760 mmHg |
| Flash Point: | 150.9 °C |
| PSA: | 46.01000 |
| LogP: | 1.98880 |
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- Total:36 Page 1 of 1 1
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Specification
This chemical is called 4(3H)-Quinazolinone, 2-chloro-, and it can also be named as 2-Chloroquinazolin-4(3H)-one. With the molecular formula of C8H5ClN2O, its molecular weight is 180.59. The CAS registry number of this chemical is 607-69-2.
Other characteristics of the 4(3H)-Quinazolinone, 2-chloro- can be summarised as followings: (1)ACD/LogP: 1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.72; (4)ACD/LogD (pH 7.4): 1.72; (5)ACD/BCF (pH 5.5): 11.96; (6)ACD/BCF (pH 7.4): 11.96; (7)ACD/KOC (pH 5.5): 205.67; (8)ACD/KOC (pH 7.4): 205.67; (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: 1.688; (14)Molar Refractivity: 45.87 cm3; (15)Molar Volume: 120.2 cm3; (16)Polarizability: 18.18×10-24cm3; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.5 g/cm3; (19)Flash Point: 150.9 °C; (20)Enthalpy of Vaporization: 56.81 kJ/mol; (21)Boiling Point: 325.9 °C at 760 mmHg; (22)Vapour Pressure: 0.000223 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cl/C1=N/C(=O)c2ccccc2N1
2.InChI: InChI=1/C8H5ClN2O/c9-8-10-6-4-2-1-3-5(6)7(12)11-8/h1-4H,(H,10,11,12)
3.InChIKey: CNGRGEDXKHIFIL-UHFFFAOYAW