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CAS No.: | 5632-15-5 |
---|---|
Name: | 2-Bromomethylquinoline |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H8BrN |
Molecular Weight: | 222.084 |
Synonyms: | 2-(Bromomethyl)quinoline;a-Bromoquinaldine;2-bromomethylquinoline; |
Density: | 1.518 g/cm3 |
Melting Point: | 169 °C |
Boiling Point: | 300.495 °C at 760 mmHg |
Flash Point: | 135.535 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22-41-51/53 |
Safety: | 26-39-61 |
PSA: | 12.89000 |
LogP: | 3.12970 |
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The 2-Bromomethylquinoline with cas registry number of 5632-15-5 is a kind of quinoline compounds. Both its systematic name and IUPAC name are the same which is called 2-(bromomethyl)quinoline.
The physical properties about this chemical are: (1)ACD/LogP: 2.63; (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): 77; (6)ACD/BCF (pH 7.4): 77; (7)ACD/KOC (pH 5.5): 776; (8)ACD/KOC (pH 7.4): 780; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.673; (13)Molar Refractivity: 54.835 cm3; (14)Molar Volume: 146.265 cm3; (15)Surface Tension: 52.762 dyne/cm; (16)Density: 1.518 g/cm3; (17)Flash Point: 135.535 °C; (18)Enthalpy of Vaporization: 51.895 kJ/mol; (19)Boiling Point: 300.495 °C at 760 mmHg; (20)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrCc1ccc2ccccc2n1;
(2)InChI: InChI=1/C10H8BrN/c11-7-9-6-5-8-3-1-2-4-10(8)12-9/h1-6H,7H2;
(3)InChIKey: NNAYPIDFVQLEDK-UHFFFAOYAT