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| CAS No.: | 6141-14-6 |
|---|---|
| Name: | 2-Chloro-4-methylquinazoline |
| Article Data: | 10 |
| Molecular Structure: | |
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| Formula: | C9H7ClN2 |
| Molecular Weight: | 178.621 |
| Synonyms: | 2-Chloro-4-methylquinazoline |
| Density: | 1.292g/cm3 |
| Boiling Point: | 262.8 °C at 760 mmHg |
| Flash Point: | 138.2 °C |
| PSA: | 25.78000 |
| LogP: | 2.59160 |
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Specification
The 2-Chloro-4-methylquinazoline, with CAS registry number 6141-14-6, belongs to the following product category: API intermediates. It has the systematic name of 2-chloro-4-methylquinazoline. Besides this, it is also called quinazoline, 2-chloro-4-methyl-. And the chemical formula of this chemical is C9H7ClN2.
Physical properties of 2-Chloro-4-methylquinazoline: (1)ACD/LogP: 2.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.61; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 56.69; (6)ACD/BCF (pH 7.4): 56.69; (7)ACD/KOC (pH 5.5): 626.32; (8)ACD/KOC (pH 7.4): 626.32; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.643; (14)Molar Refractivity: 49.99 cm3; (15)Molar Volume: 138.2 cm3; (16)Polarizability: 19.82×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.292 g/cm3; (19)Flash Point: 138.2 °C; (20)Enthalpy of Vaporization: 48.04 kJ/mol; (21)Boiling Point: 262.8 °C at 760 mmHg; (22)Vapour Pressure: 0.0174 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cc2nc(Cl)nc1ccccc12
(2)InChI: InChI=1/C9H7ClN2/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3
(3)InChIKey: IBWHRWJEIRPDJQ-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C9H7ClN2/c1-6-7-4-2-3-5-8(7)12-9(10)11-6/h2-5H,1H3
(5)Std. InChIKey: IBWHRWJEIRPDJQ-UHFFFAOYSA-N