3,4-Dichlorobenzyl bromide

Base Information

• Chemical Name: 3,4-Dichlorobenzyl bromide
• CAS No.: 18880-04-1
• Molecular Formula: C7H5BrCl2
• Molecular Weight: 239.927
• Hs Code.: 29039990
• European Community (EC) Number: 625-144-7
• DSSTox Substance ID: DTXSID50348666
• Nikkaji Number: J307.721G
• Wikidata: Q72465629
• Mol file: 18880-04-1.mol

Synonyms:3,4-Dichlorobenzyl bromide;18880-04-1;4-(bromomethyl)-1,2-dichlorobenzene;3,4-dichlorobenzylbromide;benzene, 4-(bromomethyl)-1,2-dichloro-;alpha-Bromo-3,4-dichlorotoluene;3,4 dichlorobenzyl bromide;SCHEMBL10128;3,4-Dichloro-benzyl bromide;DTXSID50348666;4-bromomethyl-1,2-dichlorobenzene;3,4-Dichlorobenzyl bromide, 97%;STR08450;1-bromomethyl-3,4-dichloro-benzene;4-bromomethyl-1,2-dichloro-benzene;MFCD00041363;1,2-dichloro-4-(bromomethyl)benzene;AKOS000121335;AM62165;Benzene, 2-chloro-4-ethynyl-1-fluoro-;CS-0030463;D3700;FT-0614239;EN300-17626;A24182;J-511140;Z56969314;F2190-0267

Chemical Property of 3,4-Dichlorobenzyl bromide

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 0.0169mmHg at 25°C
• Melting Point: 19 °C
• Refractive Index: 1.605-1.607
• Boiling Point: 263.3 °C at 760 mmHg
• Flash Point: 127.3 °C
• PSA: 0.00000
• Density: 1.679 g/cm³
• LogP: 3.88830
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Lachrymatory
• Water Solubility.: Insoluble in water.
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 237.89517
• Heavy Atom Count: 10
• Complexity: 108

Purity/Quality:

99% ^*data from raw suppliers

3,4-Dichlorobenzyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C, T, N
• Hazard Codes: C,T,N
• Statements: 34-22
• Safety Statements: 45-36/37/39-25-61-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1CBr)Cl)Cl
• Uses: 3,4-Dichlorobenzyl bromide is used as a pharmaceutical intermediate. It is also used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 3,4-Dichlorobenzyl bromide

There total 4 articles about 3,4-Dichlorobenzyl bromide 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: 81.0%

3,4-Dichlorotoluene (95-75-0) → 3,4-dichlorobenzyl bromide (18880-04-1)

Guidance literature:

With sodium bromate; 2,2'-azobis(isobutyronitrile); sulfuric acid; sodium bromide; dibenzoyl peroxide; In water; 1,2-dichloro-ethane; Reflux;

Reference yield: 35.0%

3,4-Dichlorotoluene (95-75-0) → 3,4-dichlorobenzyl bromide (18880-04-1) + 3,4-dichlorophenylmethyl nitrate

Guidance literature:

With cerium(III) ammonium nitrate; potassium bromide; In acetic acid; at 80 - 90 ℃; for 1.5h;

DOI:10.1016/0022-328X(95)05717-4

Reference yield:

3,4-dichlorobenzyl alcohol (1805-32-9) → 3,4-dichlorobenzyl bromide (18880-04-1)

Guidance literature:

With phosphorus tribromide; In dichloromethane;

DOI:10.3797/scipharm.aut-01-204

upstream raw materials:

3,4-Dichlorotoluene

3,4-dichlorobenzyl alcohol

3,4-dichlorobenzaldehyde

Downstream raw materials:

1-(3,4-dichloro-benzyl)-4-methyl-pyridinium; bromide

3,4-dichloro-benzeneacetonitrile

(3,4-dichloro-benzyl)-malonic acid diethyl ester

diethyl bis(3,4-dichlorobenzyl)malonate