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CAS No.: | 99455-15-9 |
---|---|
Name: | 7-BROMO-2-CHLORO-QUINOLINE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C9H5BrClN |
Molecular Weight: | 242.502 |
Synonyms: | Quinoline, 7-bromo-2-chloro-; |
Density: | 1.673 g/cm3 |
Melting Point: | 120-121 °C |
Boiling Point: | 325.7 °C at 760 mmHg |
Flash Point: | 150.8 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25-41 |
Safety: | 26-39-45 |
PSA: | 12.89000 |
LogP: | 3.65070 |
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The 7-Bromo-2-chloroquinoline, with the CAS registry number 99455-15-9, is also known as Quinoline, 7-bromo-2-chloro-. This chemical's molecular formula is C9H5BrClN and molecular weight is 240.929389. Its IUPAC name is called 7-bromo-2-chloroquinoline. When you are using this chemical, please be cautious about it, it may cause inflammation to the skin or other mucous membranes.
Physical properties of 7-Bromo-2-chloroquinoline: (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): 291.75; (6)ACD/BCF (pH 7.4): 291.75; (7)ACD/KOC (pH 5.5): 2023.29; (8)ACD/KOC (pH 7.4): 2023.29; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.68; (13)Molar Refractivity: 54.77 cm3; (14)Molar Volume: 144.9 cm3; (15)Surface Tension: 53.3 dyne/cm; (16)Density: 1.673 g/cm3; (17)Flash Point: 150.8 °C; (18)Enthalpy of Vaporization: 54.53 kJ/mol; (19)Boiling Point: 325.7 °C at 760 mmHg; (20)Vapour Pressure: 0.000429 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=CC2=C1C=CC(=N2)Cl)Br
(2)InChI: InChI=1S/C9H5BrClN/c10-7-3-1-6-2-4-9(11)12-8(6)5-7/h1-5H
(3)InChIKey: MOEWRAKNXMILKB-UHFFFAOYSA-N