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Name |
Quinoline, 4-bromo- |
EINECS | N/A |
CAS No. | 850917-90-7 | Density | 1.565 g/cm3 |
PSA | N/A | LogP | N/A |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H6BrN | Boiling Point | 295.911 °C at 760 mmHg |
Molecular Weight | 208.057 | Flash Point | 132.763 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-Bromchinolin; |
Article Data | 18 |
The Quinoline, 4-bromo-, with the CAS registry number of 850917-90-7, is also known as 4-Bromchinolin. Its molecular formula is C9H6BrN and molecular weight is 208.05464. What's more, its systematic name is 4-Bromoquinoline.
Physical properties about the Quinoline, 4-bromo- are: (1)ACD/LogP: 3.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 86; (6)ACD/BCF (pH 7.4): 87; (7)ACD/KOC (pH 5.5): 846; (8)ACD/KOC (pH 7.4): 852; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.674; (14)Molar Refractivity: 49.877 cm3; (15)Molar Volume: 132.958 cm3; (16)Surface Tension: 51.254 dyne/cm; (17)Density: 1.565 g/cm3; (18)Flash Point: 132.763 °C; (19)Enthalpy of Vaporization: 51.421 kJ/mol; (20)Boiling Point: 295.911 °C at 760 mmHg; (21)Vapour Pressure: 0.003 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1c2ccccc2ncc1
(2) InChI: InChI=1/C9H6BrN/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-6H
(3) InChIKey: SUXIPCHEUMEUSV-UHFFFAOYAB