4-Chlorobenzyl bromide

Base Information

• Chemical Name: 4-Chlorobenzyl bromide
• CAS No.: 622-95-7
• Molecular Formula: C7H6BrCl
• Molecular Weight: 205.482
• Hs Code.: 29049090
• European Community (EC) Number: 210-760-7
• UNII: RAN8LE8F5N
• DSSTox Substance ID: DTXSID70211247
• Nikkaji Number: J95.366K
• Wikidata: Q72517400
• Mol file: 622-95-7.mol

Synonyms:4-Chlorobenzyl bromide;622-95-7;1-(Bromomethyl)-4-chlorobenzene;p-Chlorobenzyl bromide;4-chlorobenzylbromide;Benzene, 1-(bromomethyl)-4-chloro-;EINECS 210-760-7;alpha-Bromo-4-chlorotoluene;p-chlorobenzylbromide;4-chloro-benzylbromide;4-chlorobenzyl bromine;parachlorobenzyl bromide;4-chloro benzyl bromide;4-chloro-benzyl bromide;4-(Chloro)benzylbromide;para-chlorobenzyl bromide;RAN8LE8F5N;SCHEMBL1766;1-bromomethyl-4-chlorobenzene;1-chloro-4-brommethyl benzene;4-Chlorobenzyl bromide, 97%;1-bromomethyl-4-chloro-benzene;DTXSID70211247;4-BROMO-1,2-EPOXY-BUTANE;benzene, 1-(bromomethyl)-4-chloro;1-(Bromomethyl)-4-chlorobenzene #;MFCD00040714;AKOS009158155;AB01810;AC-23173;AS-11384;BP-12337;AM20040884;B0576;CS-0017948;FT-0618198;A24604;EN300-119707;W-105019;Benzene,1-(bromomethyl)-4-chloro-

Chemical Property of 4-Chlorobenzyl bromide

Chemical Property:

• Appearance/Colour: White crystalline low melting solid
• Vapor Pressure: 0.118mmHg at 25°C
• Melting Point: 48-50 ºC
• Refractive Index: 1.583
• Boiling Point: 227.1 °C at 760 mmHg
• Flash Point: 103.6 °C
• PSA: 0.00000
• Density: 1.57 g/cm³
• LogP: 3.23490
• Storage Temp.: 0-10°C
• Sensitive.: Lachrymatory
• Solubility.: Chloroform, Dichloromethane (Slightly)
• Water Solubility.: Insoluble in water.
• 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: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Chlorobenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)Cl
• Uses: 4-Chlorobenzyl bromide is used as pharmaceutical intermediate. 4-Chlorobenzyl bromide may be used to synthesize 1-(4-chlorobenzyl)-2-(pyrrolidin-1-yl-methyl)-1H-benzimidazole dihydrochloride

Technology Process of 4-Chlorobenzyl bromide

There total 48 articles about 4-Chlorobenzyl 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: 98.0%

4-chlorobenzaldehyde (104-88-1) → 4-chlorobenzyl bromide (622-95-7)

Guidance literature:

With polymethylhydrosiloxane; dimethylbromosulphonium bromide; In chloroform; at 20 ℃; for 4h;

DOI:10.1016/j.tetlet.2007.07.125

Reference yield: 97.0%

4-chlorophenylacetic Acid (1878-66-6) → 4-chlorobenzyl bromide (622-95-7)

Guidance literature:

With tetra-N-butylammonium tribromide; dibromoisocyanuric acid; In dichloromethane; at 20 ℃; for 2h; Time; UV-irradiation;

Reference yield: 93.0%

para-chlorotoluene (106-43-4) → 4-chlorobenzyl bromide (622-95-7)

Guidance literature:

With dihydrogen peroxide; bromine; In dichloromethane; water; for 4h; Reflux;

upstream raw materials:

bromocyane

(4-bromo-benzyl)-(4-chloro-benzyl)-methyl-amine

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

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

Downstream raw materials:

8anti-(4-chloro-benzyl)-8syn-methyl-3endo-(4-nitro-benzoyloxy)-nortropanium; bromide

ethyl 2-[(4-chlorophenyl)methyl]-3-oxobutanoate

1,2-bis(4-chlorophenyl)ethanone

(4-chlorobenzyl)(methyl)sulfane

Refernces

• 1、 Yagiz, Güler,Noma, Samir Abbas Ali,Altundas, Aliye,Al-khafaji, Khattab,Taskin-Tok, Tugba,Ates, Burhan. "Synthesis, inhibition properties against xanthine oxidase and molecular docking studies of dimethyl N-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate and (N-benzyl-1H-1,2,3-triazole-4,5-diyl)dimethanol derivatives". . . Retrieved 2021/01/28.
• 2、 Alam, Md Nirshad,Dash, Soumya Ranjan,Mukherjee, Anirban,Pandole, Satish,Marelli, Udaya Kiran,Vanka, Kumar,Maity, Pradip. "[1,3]-Claisen rearrangement via removable functional group mediated radical stabilization". supporting information. p. 890 - 895. Retrieved 2021/02/01.