3-Bromo-4-chloropyridine

Base Information

• Chemical Name: 3-Bromo-4-chloropyridine
• CAS No.: 36953-42-1
• Molecular Formula: C5H3BrClN
• Molecular Weight: 192.443
• Hs Code.: 29333990
• European Community (EC) Number: 690-646-5
• DSSTox Substance ID: DTXSID00958133
• Nikkaji Number: J1.272.598A
• Wikidata: Q72453367
• Mol file: 36953-42-1.mol

Synonyms:3-bromo-4-chloropyridine;36953-42-1;3-Bromo-4-chloro-pyridine;PYRIDINE, 3-BROMO-4-CHLORO-;1812569-18-8;MFCD00234008;SCHEMBL360577;DTXSID00958133;QADXKWUCCGPQNR-UHFFFAOYSA-N;BCP22104;CS-M3246;AC-160;BBL103348;STL557158;3-Bromo-4-chloropyridine, AldrichCPR;AKOS005255034;AB05074;PS-4256;AM20061878;FT-0639350;EN300-116572;Pyridine,3-bromo-4-chloro-,hydrochloride(1:1);A928103

Chemical Property of 3-Bromo-4-chloropyridine

Chemical Property:

• Appearance/Colour: Light yellow needles
• Vapor Pressure: 0.326mmHg at 25°C
• Melting Point: 17.5-18.5 °C
• Refractive Index: 1.453
• Boiling Point: 207.3 °C at 760 mmHg
• PKA: 1.74±0.10(Predicted)
• Flash Point: 79.2 °C
• PSA: 12.89000
• Density: 1.736 g/cm³
• LogP: 2.49750
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 190.91374
• Heavy Atom Count: 8
• Complexity: 78.8

Purity/Quality:

99% ^*data from raw suppliers

3-Bromo-4-chloropyridine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn,Xi,T
• Statements: 36/37/38-20/22-41-37/38-25
• Safety Statements: 36/37/39-26-22-45-39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=CC(=C1Cl)Br

Technology Process of 3-Bromo-4-chloropyridine

There total 4 articles about 3-Bromo-4-chloropyridine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

4-chlorofuro[3,2-c]pyridine (31270-80-1) → 3-bromo-4-chloropyridine (36953-42-1) + 4-chloro-3-bromofuro<3,2-c>pyridine (220939-72-0)

Guidance literature:

With sodium hydroxide; bromine; In methanol; tetrachloromethane;

Reference yield:

3-bromopyridine N-oxide (2402-97-3) → 5-bromo-2-chloropyridine (53939-30-3) + 3-bromo-2-chloropyridine (52200-48-3) + 3-bromo-4-chloropyridine (36953-42-1)

Guidance literature:

With trichlorophosphate; at 110 ℃; for 2h; Yield given. Yields of byproduct given;

Reference yield:

3-bromopyridine N-oxide (2402-97-3) + sulfuryl dichloride (7791-25-5) → 5-bromo-2-chloropyridine (53939-30-3) + 3-bromo-2-chloropyridine (52200-48-3) + 3-bromo-4-chloropyridine (36953-42-1)

Guidance literature:

at 120 ℃;

upstream raw materials:

3-bromopyridine N-oxide

3-Bromopyridine

sulfuryl dichloride

4-chlorofuro[3,2-c]pyridine

Downstream raw materials:

bromo-3 methoxy-4 pyridine

3-bromo-4-methylthio-pyridine

3-bromopyridin-4-amine

4-chloro-3-( 4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

Refernces

• 1、 Belen'kii, L. I.,Poddubnyi, I. S.,Krayushin, M. M.. "NATURE OF THE REDUCING AGENT AND MECHANISM OF THE REDUCTIVE CONDENSATION OF TRICHLOROMETHYLARENES WITH HYDROXYLAMINE AND HYDRAZINES IN PYRIDINE". . p. 726 - 736. Retrieved 2007/10/03.