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Name |
Pyridine,3-bromo-2-(chloromethyl)- |
EINECS | N/A |
CAS No. | 122851-69-8 | Density | 1.632 g/cm3 |
PSA | 12.89000 | LogP | 2.47380 |
Solubility | N/A | Melting Point |
46-46.5 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7)) |
Formula | C6H5BrClN | Boiling Point | 237.949 °C at 760 mmHg |
Molecular Weight | 206.47 | Flash Point | 97.709 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Bromo-2-(chloromethyl)pyridine; |
Article Data | 5 |
The Pyridine, 3-bromo-2-(chloromethyl)- has CAS registry number 122851-69-8. This chemical's molecular formula is C6H5BrClN and molecular weight is 206.47. What's more, its systematic name is 3-Bromo-2-(chloromethyl)pyridine.
Physical properties about Pyridine, 3-bromo-2-(chloromethyl)- are: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 20; (6)ACD/BCF (pH 7.4): 20; (7)ACD/KOC (pH 5.5): 299; (8)ACD/KOC (pH 7.4): 299; (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: 1.575; (14)Molar Refractivity: 41.8 cm3; (15)Molar Volume: 126.537 cm3; (16)Polarizability: 16.571×10-24 cm3; (17)Surface Tension: 44.691 dyne/cm; (18)Density: 1.632 g/cm3; (19)Flash Point: 97.709 °C; (20)Enthalpy of Vaporization: 45.553 kJ/mol; (21)Boiling Point: 237.949 °C at 760 mmHg; (22)Vapour Pressure: 0.067 mmHg at 25 °C.
Preparation of Pyridine, 3-bromo-2-(chloromethyl)-: this chemical is prepared by (3-Bromo-pyridin-2-yl)-methanol at ambient temperature. The reaction needs reagent Thionyl chloride and solvent CH2Cl2. The yield is about 69 %.
Uses of Pyridine, 3-bromo-2-(chloromethyl)-: it is used to produce other chemicals. For example, it is used to produce 3-Bromo-2-cyanomethylpyridine at ambient temperature. The reaction needs reagent 15-Crown-5 and solvent Acetonitrile. The reaction time is 3 hours. The yield is about 74 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cccnc1CCl
(2) InChI: InChI=1/C6H5BrClN/c7-5-2-1-3-9-6(5)4-8/h1-3H,4H2
(3) InChIKey: FGRPSQGAABFCHF-UHFFFAOYAG