CAS No.122851-69-8,3-bromo-2-(chloromethyl)pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	122851-69-8
Name:	3-bromo-2-(chloromethyl)pyridine
Article Data:	5

Formula:	C₆H₅BrClN
Molecular Weight:	206.47
Synonyms:	3-Bromo-2-(chloromethyl)pyridine;
Density:	1.632 g/cm³
Melting Point:	46-46.5 °C(Solv: hexane (110-54-3); ethyl ether (60-29-7))
Boiling Point:	237.949 °C at 760 mmHg
Flash Point:	97.709 °C
PSA:	12.89000
LogP:	2.47380

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Specification

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 %.

The Pyridine, 3-bromo-2-(chloromethyl)- can be obtained by (3-Bromo-pyridin-2-yl)-methanol.

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 %.

Pyridine, 3-bromo-2-(chloromethyl)- can react with Hydrocyanic acid; sodium salt to get 3-Bromo-2-cyanomethylpyridine.

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