Basic information
- Name:
Quinazoline,6-bromo-4-methyl-
- CAS No.:
69674-27-7
- Molecular Structure:
- Formula:
- C9H7BrN2
- Molecular Weight:
- 223.0693
- Synonyms:
- 6-Bromo-4-methylquinazoline;
- Density:
- 1.566 g/cm3
- Boiling Point:
- 320.098 °C at 760 mmHg
- Flash Point:
- 147.39 °C
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Specification
The Quinazoline,6-bromo-4-methyl- is an organic compound with the formula C9H7BrN2. With the CAS registry number 69674-27-7, the systematic name of this chemical is 6-bromo-4-methyl-quinazoline.
Physical properties about Quinazoline,6-bromo-4-methyl- are: (1)ACD/LogP: 1.91; (2)ACD/LogD (pH 5.5): 1.897; (3)ACD/LogD (pH 7.4): 1.907; (4)ACD/BCF (pH 5.5): 16.194; (5)ACD/BCF (pH 7.4): 16.568; (6)ACD/KOC (pH 5.5): 253.752; (7)ACD/KOC (pH 7.4): 259.621; (8)#H bond acceptors: 2; (9)Polar Surface Area: 25.78 Å2; (10)Index of Refraction: 1.663; (11)Molar Refractivity: 52.793 cm3; (12)Molar Volume: 142.457 cm3; (13)Polarizability: 20.929×10-24cm3; (14)Surface Tension: 54.77 dyne/cm; (15)Density: 1.566 g/cm3; (16)Flash Point: 147.39 °C; (17)Enthalpy of Vaporization: 53.939 kJ/mol; (18)Boiling Point: 320.098 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.
Uses of Quinazoline,6-bromo-4-methyl-: it can be used to produce C14H11BrN2O2*BrH by heating. It will need solvent ethanol with reaction time of 16 hours. The yield is about 61.7%.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc1c2cc(ccc2ncn1)Br
(2)InChI: InChI=1/C9H7BrN2/c1-6-8-4-7(10)2-3-9(8)12-5-11-6/h2-5H,1H3
(3)InChIKey: AQONPSNFIBNMQX-UHFFFAOYAE
(4)Std. InChI: InChI=1S/C9H7BrN2/c1-6-8-4-7(10)2-3-9(8)12-5-11-6/h2-5H,1H3
(5)Std. InChIKey: AQONPSNFIBNMQX-UHFFFAOYSA-N