Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
4-Bromoquinazoline |
EINECS | N/A |
CAS No. | 354574-59-7 | Density | 1.656g/cm3 |
PSA | 25.78000 | LogP | 2.39230 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H5BrN2 | Boiling Point | 304.3 °C at 760 mmHg |
Molecular Weight | 209.045 | Flash Point | 137.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-bromoquinazoline |
Article Data | 2 |
The 4-Bromoquinazoline, with cas registry number 354574-59-7, has the systematic name of 4-Bromoquinazoline. Besides this, it is also called quinazoline, 4-bromo-.
Physical properties about this chemical are: (1)ACD/LogP: 1.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.8; (4)ACD/LogD (pH 7.4): 1.8; (5)ACD/BCF (pH 5.5): 13.83; (6)ACD/BCF (pH 7.4): 13.83; (7)ACD/KOC (pH 5.5): 228.2; (8)ACD/KOC (pH 7.4): 228.2; (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: 1.685; (14)Molar Refractivity: 47.96 cm3; (15)Molar Volume: 126.1 cm3; (16)Polarizability: 19.01×10-24cm3; (17)Surface Tension: 59.1 dyne/cm; (18)Enthalpy of Vaporization: 52.28 kJ/mol; (19)Vapour Pressure: 0.00159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc2c(c1)c(ncn2)Br
(2)InChI: InChI=1/C8H5BrN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
(3)InChIKey: WJYKTNSYMVJDBR-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H5BrN2/c9-8-6-3-1-2-4-7(6)10-5-11-8/h1-5H
(5)Std. InChIKey: WJYKTNSYMVJDBR-UHFFFAOYSA-N