1-(Bromomethyl)-3-chlorobenzene

Base Information

• Chemical Name: 1-(Bromomethyl)-3-chlorobenzene
• CAS No.: 766-80-3
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.482
• Hs Code.: 29039990
• European Community (EC) Number: 212-171-0
• NSC Number: 60110
• DSSTox Substance ID: DTXSID40227411
• Nikkaji Number: J193.140G
• Wikidata: Q72517398
• Mol file: 766-80-3.mol

Synonyms:3-Chlorobenzyl bromide;766-80-3;1-(Bromomethyl)-3-chlorobenzene;alpha-Bromo-3-chlorotoluene;3-chlorobenzylbromide;m-Chlorobenzyl bromide;Benzene, 1-(bromomethyl)-3-chloro-;1-(bromomethyl)-3-chloro-benzene;.alpha.-Bromo-m-chlorotoluene;EINECS 212-171-0;MFCD00000597;NSC60110;3-chorobenzylbromide;3-chloro-benzylbromide;3-chloro-benzyl bromide;SCHEMBL2436;1-bromomethyl-3-chlorobenzene;.alpha.-Bromo-3-chlorotoluene;3-Chlorobenzyl bromide, 97%;1-bromomethyl-3-chloro-benzene;1-chloro-3-bromomethyl benzene;LZIYAIRGDHSVED-UHFFFAOYSA-;DTXSID40227411;1-(bromo-methyl)-3-chlorobenzene;Toluene, .alpha.-bromo-m-chloro-;NSC 60110;NSC-60110;AKOS000447218;CS-W001918;PS-10048;A9717;AM20041138;FT-0615475;EN300-16586;W-104349;F0001-1951

Chemical Property of 1-(Bromomethyl)-3-chlorobenzene

Chemical Property:

• Appearance/Colour: Colorless liquid
• Vapor Pressure: 0.0675mmHg at 25°C
• Melting Point: 15 °C
• Refractive Index: n20/D 1.588(lit.)
• Boiling Point: 237.8 °C at 760 mmHg
• Flash Point: 103.6 °C
• PSA: 0.00000
• Density: 1.57 g/cm³
• LogP: 3.23490
• Storage Temp.: Store at R.T.
• Sensitive.: Lachrymatory
• Water Solubility.: DECOMPOSES
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 203.93414
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

99% ^*data from raw suppliers

3-Chlorobenzyl bromide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Halogenated Monoaromatics
• Canonical SMILES: C1=CC(=CC(=C1)Cl)CBr
• Uses: 3-Chlorobenzyl bromide was used in the synthesis of symmetrical and unsymmetrical benzyl thioethers. It was used as starting reagent during the synthesis of 1-(3-chlorobenzyl)-2-(pyrrolidin-1-ylmethyl)-1H-benzimidazole dihydrochloride.

Technology Process of 1-(Bromomethyl)-3-chlorobenzene

There total 20 articles about 1-(Bromomethyl)-3-chlorobenzene 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%

→ 1-bromomethyl-3-chlorobenzene (766-80-3)

Guidance literature:

Reference yield: 94.0%

m-chlorobenzyl alcohol (873-63-2) → 1-bromomethyl-3-chlorobenzene (766-80-3)

Guidance literature:

With 1,1,1,2,2,2-hexamethyldisilane; In chloroform; for 1.5h; Reflux;

DOI:10.4314/bcse.v26i2.14

Reference yield: 83.0%

1-chloro-3-methylbenzene (108-41-8) → 1-bromomethyl-3-chlorobenzene (766-80-3)

Guidance literature:

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

upstream raw materials:

bromocyane

(3-bromo-benzyl)-(3-chloro-benzyl)-methyl-amine

(3-chloro-benzyl)-methyl-(4-nitro-benzyl)-amine

1-chloro-3-methylbenzene

Downstream raw materials:

1-(3-chloro-benzyl)-pyridinium; bromide

3-chlorobenzyl imidothiocarbamate

2-[(3-chloro-phenyl)-methanesulfonyl]-benzothiazole

5-(m-chloro)benzylbarbituric acid

Refernces

• 1、 Battu, Satyanarayana,Joolakanti, Hima Bindhu,Kamepalli, Ramanjaneyulu,Miryala, Jeevanreddy. "Synthesis, Docking, and Biological activities of novel Metacetamol embedded [1,2,3]-triazole derivatives". . . Retrieved 2021/06/18.
• 2、 Zhao, Mengdi,Li, Meiqi,Lu, Wenjun. "Visible-Light-Driven Oxidative Mono- and Dibromination of Benzylic sp 3 C-H Bonds with Potassium Bromide/Oxone at Room Temperature". supporting information. p. 4933 - 4939. Retrieved 2018/12/14.