Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
3-Bromocinnoline |
EINECS | N/A |
CAS No. | 78593-33-6 | Density | 1.657 g/cm3 |
PSA | 25.78000 | LogP | 2.39230 |
Solubility | N/A | Melting Point |
92-93 °C(Solv: ligroine (8032-32-4)) |
Formula | C8H5BrN2 | Boiling Point | 324.952 °C at 760 mmHg |
Molecular Weight | 209.045 | Flash Point | 150.326 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Bromocinnoline; |
Article Data | 3 |
The Systematic name about this chemical is 3-bromocinnoline. The cas register number of 3-Bromocinnoline is 78593-33-6. It also can be called as cinnoline, 3-bromo-.
Physical properties about 3-Bromocinnoline are: (1)ACD/LogP: 1.72 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2 ; (4)ACD/LogD (pH 7.4): 2 ; (5)ACD/BCF (pH 5.5): 12; (6)ACD/BCF (pH 7.4): 12; (7)ACD/KOC (pH 5.5): 205; (8)ACD/KOC (pH 7.4): 205; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 47.968 cm3; (15)Molar Volume: 126.182 cm3; (16)Surface Tension: 59.127 dyne/cm; (17)Density: 1.657 g/cm3; (18)Flash Point: 150.326 °C; (19)Enthalpy of Vaporization: 54.449 kJ/mol; (20)Boiling Point: 324.952 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1.SMILES: c1ccc2c(c1)cc(nn2)Br
2.InChI: InChI=1/C8H5BrN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H
3.InChIKey: MEYRUXMLXSGXKP-UHFFFAOYAJ
4.Std. InChI: InChI=1S/C8H5BrN2/c9-8-5-6-3-1-2-4-7(6)10-11-8/h1-5H.