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CAS No.: | 168823-76-5 |
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Name: | Pyridine, 5-bromo-2-(chloromethyl)- (9CI) |
Article Data: | 11 |
Molecular Structure: | |
Formula: | C6H5BrClN |
Molecular Weight: | 206.469 |
Synonyms: | 5-Bromo-2-(chloromethyl)pyridine; |
Density: | 1.631 g/cm3 |
Boiling Point: | 243.4 °C at 760 mmHg |
Flash Point: | 101 °C |
PSA: | 12.89000 |
LogP: | 2.58290 |
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The Pyridine, 5-bromo-2-(chloromethyl)- has CAS registry number 168823-76-5. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H5BrClN and molecular weight is 206.47. What's more, its systematic name is 5-Bromo-2-(chloromethyl)pyridine.
Physical properties about Pyridine, 5-bromo-2-(chloromethyl)- are: (1)ACD/LogP: 2.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.02; (4)ACD/LogD (pH 7.4): 2.02; (5)ACD/BCF (pH 5.5): 20.18; (6)ACD/BCF (pH 7.4): 20.18; (7)ACD/KOC (pH 5.5): 299; (8)ACD/KOC (pH 7.4): 299.03; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.574; (14)Molar Refractivity: 41.79 cm3; (15)Molar Volume: 126.5 cm3; (16)Polarizability: 16.57×10-24 cm3; (17)Surface Tension: 44.6 dyne/cm; (18)Density: 1.631 g/cm3; (19)Flash Point: 101 °C; (20)Enthalpy of Vaporization: 46.1 kJ/mol; (21)Boiling Point: 243.4 °C at 760 mmHg; (22)Vapour Pressure: 0.05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cnc(cc1)CCl
(2) InChI: InChI=1/C6H5BrClN/c7-5-1-2-6(3-8)9-4-5/h1-2,4H,3H2
(3) InChIKey: YESFMWFCJUGBLH-UHFFFAOYAR