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CAS No.: | 6141-13-5 |
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Name: | 2-Chloroquinazoline |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C8H5ClN2 |
Molecular Weight: | 164.594 |
Synonyms: | 2-Chloroquinazoline; |
Density: | 1.349 g/cm3 |
Melting Point: | 108 °C(Solv: ligroine (8032-32-4)) |
Boiling Point: | 250 °C at 760 mmHg |
Flash Point: | 129.2 °C |
Risk Codes: | 41 |
Safety: | 26-39 |
PSA: | 25.78000 |
LogP: | 2.28320 |
This chemical has the systematic name 2-Chloroquinazoline. With the CAS registry number 6141-13-5, it is also known as Quinazoline, 2-chloro-. Its molecular formula is C8H5ClN2 and its molecular weight is 164.59. Additionally, its product categories are Chiral Chemicals; Pyrimidine Series.
Other characteristics of the 2-Chloroquinazoline can be summarised as followings: (1)ACD/LogP: 2.15; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.15; (4)ACD/LogD (pH 7.4): 2.15; (5)ACD/BCF (pH 5.5): 25.34; (6)ACD/BCF (pH 7.4): 25.34; (7)ACD/KOC (pH 5.5): 351.98; (8)ACD/KOC (pH 7.4): 351.98; (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: 1.662; (14)Molar Refractivity: 45.17 cm3; (15)Molar Volume: 121.9 cm3; (16)Polarizability: 17.9×10-24cm3; (17)Surface Tension: 57.1 dyne/cm; (18)Density: 1.349 g/cm3; (19)Flash Point: 129.2 °C; (20)Enthalpy of Vaporization: 46.75 kJ/mol; (21)Boiling Point: 250 °C at 760 mmHg; (22)Vapour Pressure: 0.0352 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Clc2nc1c(cccc1)cn2
2.InChI: InChI=1/C8H5ClN2/c9-8-10-5-6-3-1-2-4-7(6)11-8/h1-5H
3.InChIKey: WMPTYRGXBUYONY-UHFFFAOYAR