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CAS No.: | 65340-71-8 |
---|---|
Name: | 8-BROMO-4-CHLOROQUINOLINE |
Article Data: | 7 |
Molecular Structure: | |
Formula: | C9H5BrClN |
Molecular Weight: | 242.502 |
Synonyms: | 8-Bromo-4-chloroquinoline; |
EINECS: | -0 |
Density: | 1.673 g/cm3 |
Melting Point: | 147-148 °C(Solv: ethanol (64-17-5); water (7732-18-5)) |
Boiling Point: | 314.6 °C at 760 mmHg |
Flash Point: | 144.1 °C |
Hazard Symbols: | T |
Risk Codes: | 25-41 |
Safety: | 26-39-45 |
PSA: | 12.89000 |
LogP: | 3.65070 |
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The 8-Bromo-4-chloroquinoline, with the cas registry number of 65340-71-8, is also called quinoline, 8-bromo-4-chloro-. The molecular formula of the chemical is C9H5BrClN.
The characteristics of this chemical are as followings: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 294.13; (6)ACD/BCF (pH 7.4): 294.14; (7)ACD/KOC (pH 5.5): 2035.08; (8)ACD/KOC (pH 7.4): 2035.13; (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: 1.68; (14)Molar Refractivity: 54.77 cm3; (15)Molar Volume: 144.9 cm3; (16)Polarizability: 21.71×10-24cm3; (17)Surface Tension: 53.3 dyne/cm; (18)Density: 1.673 g/cm3; (19)Flash Point: 144.1 °C; (20)Enthalpy of Vaporization: 53.36 kJ/mol; (21)Boiling Point: 314.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000853 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cccc2c(Cl)ccnc12
(2)InChI: InChI=1/C9H5BrClN/c10-7-3-1-2-6-8(11)4-5-12-9(6)7/h1-5H
(3)InChIKey: DAHYJSFUKJLEEJ-UHFFFAOYAO