2-Chloro-5-iodobenzyl bromide

Base Information

• Chemical Name: 2-Chloro-5-iodobenzyl bromide
• CAS No.: 793695-85-9
• Molecular Formula: C7H5 Br Cl I
• Molecular Weight: 331.378
• Hs Code.: 2909309090
• European Community (EC) Number: 816-764-0
• DSSTox Substance ID: DTXSID30471527
• Wikidata: Q82300053
• Mol file: 793695-85-9.mol

Synonyms:793695-85-9;2-Chloro-5-iodobenzyl bromide;2-(bromomethyl)-1-chloro-4-iodobenzene;2-Bromomethyl-1-chloro-4-iodo-benzene;Benzene,2-(bromomethyl)-1-chloro-4-iodo-;SCHEMBL754847;DTXSID30471527;DFDCZEQSQMAKJJ-UHFFFAOYSA-N;Bromomethyl-2-chloro-5-iodobenzene;MFCD08236727;AKOS015962793;AB43862;PS-10036;FT-0714645;EN300-2978038;A856452

Chemical Property of 2-Chloro-5-iodobenzyl bromide

Chemical Property:

• Melting Point: 94-95 °C
• Boiling Point: 309.1±32.0 °C(Predicted)
• PSA: 0.00000
• Density: 2.166±0.06 g/cm3(Predicted)
• LogP: 3.83950
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 329.83079
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98.5% ^*data from raw suppliers

2-Chloro-5-iodobenzyl bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1I)CBr)Cl

Technology Process of 2-Chloro-5-iodobenzyl bromide

There total 2 articles about 2-Chloro-5-iodobenzyl 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: 55.0%

1-chloro-4-iodo-2-methylbenzene (116632-41-8) → 2-bromomethyl-1-chloro-4-iodo-benzene (793695-85-9)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; for 3h; Heating;

DOI:10.1021/jm049580r

Reference yield:

→ 2-bromomethyl-1-chloro-4-iodo-benzene (793695-85-9)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 0 ℃; for 1h;

Reference yield: 95.9%

2-bromomethyl-1-chloro-4-iodo-benzene (793695-85-9) + 4-bromoethoxybenzene (588-96-5) → 1-chloro-2-(4-ethoxybenzyl)-4-iodobenzene (1103738-29-9)

Guidance literature:

4-bromoethoxybenzene; With iodine; magnesium; methoxybenzene; at 47 ℃; for 3.2h;

2-bromomethyl-1-chloro-4-iodo-benzene; With copper(l) iodide; at -18 - 20 ℃; for 16.2h; Temperature;

upstream raw materials:

1-chloro-4-iodo-2-methylbenzene

Downstream raw materials:

N-(2-chloro-5-iodobenzyl)phthalimide

2-chloro-5-iodobenzylamine

2-chloro-5-(3-hydroxypropynyl)benzylamine

(1'S,2'R,3'S,4'R,5'S)-4'-[6-(2-chloro-5-iodobenzylamino)-2-chloropurin-9-yl]-2',3'-O-isopropylidenebicyclo[3.1.0]haxane-1'-carboxylic acid ethyl ester

Refernces

• 1、 -. "2-(1,2,3-TRIAZOL-2-YL)BENZAMIDE AND 3-(1,2,3-TRIAZOL-2-YL)PICOLINAMIDE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS". Paragraph 0449; 0450. . Retrieved 2015/06/17.
• 2、 -. "SUBSTITUTED BENZENE FUNGICIDES". Page/Page column 47. . Retrieved 2008/12/04.