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CAS No.: | 75090-52-7 |
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Name: | 7-BROMO-4-CHLOROQUINOLINE |
Molecular Structure: | |
Formula: | C9H5BrClN |
Molecular Weight: | 242.502 |
Synonyms: | 7-Bromo-4-chloroquinoline; |
EINECS: | -0 |
Density: | 1.673 g/cm3 |
Melting Point: | 105-106 °C |
Boiling Point: | 314.584 °C at 760 mmHg |
Flash Point: | 144.056 °C |
Hazard Symbols: | T |
Risk Codes: | 25-41 |
Safety: | 26-39-45 |
PSA: | 12.89000 |
LogP: | 3.65070 |
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The 7-Bromo-4-chloroquinoline with the CAS number 75090-52-7 is also called Quinoline,7-bromo-4-chloro-. Its molecular formula is C9H5BrClN. The product category is Chiral Chemicals. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the 7-Bromo-4-chloroquinoline are: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 329; (6)ACD/BCF (pH 7.4): 329; (7)ACD/KOC (pH 5.5): 2205; (8)ACD/KOC (pH 7.4): 2206; (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: 54.772 cm3; (15)Molar Volume: 144.909 cm3; (16)Polarizability: 21.713×10-24cm3; (17)Surface Tension: 53.343 dyne/cm; (18)Enthalpy of Vaporization: 53.361 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc2nccc(Cl)c2cc1
(2)InChI: InChI=1/C9H5BrClN/c10-6-1-2-7-8(11)3-4-12-9(7)5-6/h1-5H
(3)InChIKey: JJUTYYVZDKDLBC-UHFFFAOYAQ