-
Name
4-CHLORO-6,7-DIMETHYLENEDIOXYQUINAZOLINE
- EINECS
- CAS No. 52791-05-6
- Article Data13
- CAS DataBase
- Density 1.475 g/cm3
- Solubility
- Melting Point
- Formula C10H7ClN2O2
- Boiling Point 375.4 °C at 760 mmHg
- Molecular Weight 222.631
- Flash Point 180.8 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-Chloro-6,7-ethylenedioxyquinazoline;4-Chloro-7,8-dihydro-[1,4]dioxino[2,3-g]quinazoline;
- PSA 44.24000
- LogP 2.05440
4-Chloro-6,7-dimethylenedioxyquinazoline Specification
The 4-Chloro-6,7-dimethylenedioxyquinazoline, with the CAS registry number 52791-05-6, is also known as [1,4]Dioxino[2,3-g]quinazoline,4-chloro-7,8-dihydro-. Its molecular formula is C10H7ClN2O2 and its molecular weight is 222.62778. Additionally, this chemical has the systematic name 4-chloro-7,8-dihydro[1,4]dioxino[2,3-g]quinazoline.
Other characteristics of the 4-Chloro-6,7-dimethylenedioxyquinazoline can be summarised as followings: (1)ACD/LogP: 1.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.35; (4)ACD/LogD (pH 7.4): 1.35; (5)ACD/BCF (pH 5.5): 6.23; (6)ACD/BCF (pH 7.4): 6.23; (7)ACD/KOC (pH 5.5): 128.88; (8)ACD/KOC (pH 7.4): 128.88; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 44.24 Å2; (13)Index of Refraction: 1.663; (14)Molar Refractivity: 55.94 cm3; (15)Molar Volume: 150.8 cm3; (16)Polarizability: 22.17×10-24cm3; (17)Surface Tension: 66.4 dyne/cm; (18)Density: 1.475 g/cm3; (19)Flash Point: 180.8 °C; (20)Enthalpy of Vaporization: 59.84 kJ/mol; (21)Boiling Point: 375.4 °C at 760 mmHg; (22)Vapour Pressure: 1.69E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2ncnc1cc3OCCOc3cc12
2.InChI: InChI=1/C10H7ClN2O2/c11-10-6-3-8-9(15-2-1-14-8)4-7(6)12-5-13-10/h3-5H,1-2H2
3.InChIKey: KOSFQWDAKWKNJM-UHFFFAOYAD
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