Basic information
- Name:
Quinazoline,2-(chloromethyl)-4-methyl-
- Superlist Name:
- 2-(Chloromethyl)-4-methylquinazoline
- CAS No.:
109113-72-6
- Molecular Structure:
- Formula:
- C10H9ClN2
- Molecular Weight:
- 192.64
- Synonyms:
- MFCD09807547;NSC 48971;2-Amino-3,4-dimethylbenzoic acid;
- Density:
- 1.251 g/cm3
- Melting Point:
- 61 - 63 °C
- Boiling Point:
- 240.039 °C at 760 mmHg
- Flash Point:
- 122.14 °C
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Specification
The Quinazoline,2-(chloromethyl)-4-methyl-, with the CAS registry number 109113-72-6, is also known as 2-Amino-3,4-dimethylbenzoic acid. This chemical's molecular formula is C10H9ClN2 and molecular weight is 192.64. What's more, its systematic name is 2-(Chloromethyl)-4-methylquinazoline.
Physical properties of Quinazoline,2-(chloromethyl)-4-methyl- are: (1)ACD/LogP: 2.009; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.01; (4)ACD/LogD (pH 7.4): 2.01; (5)ACD/BCF (pH 5.5): 19.78; (6)ACD/BCF (pH 7.4): 19.79; (7)ACD/KOC (pH 5.5): 294.75; (8)ACD/KOC (pH 7.4): 294.87; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.631; (14)Molar Refractivity: 54.868 cm3; (15)Molar Volume: 153.967 cm3; (16)Polarizability: 21.752×10-24cm3; (17)Surface Tension: 51.42 dyne/cm; (18)Density: 1.251 g/cm3; (19)Flash Point: 122.14 °C; (20)Enthalpy of Vaporization: 45.761 kJ/mol; (21)Boiling Point: 240.039 °C at 760 mmHg; (22)Vapour Pressure: 0.06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ClCc2nc1c(cccc1)c(n2)
(2)Std. InChI: InChI=1S/C10H9ClN2/c1-7-8-4-2-3-5-9(8)13-10(6-11)12-7/h2-5H,6H2,1H3
(3)Std. InChIKey: UHCUBOJGMLASBY-UHFFFAOYSA-N
