4-Iodobenzyl bromide

Base Information

• Chemical Name: 4-Iodobenzyl bromide
• CAS No.: 16004-15-2
• Molecular Formula: C7H6BrI
• Molecular Weight: 296.933
• Hs Code.: 29039990
• European Community (EC) Number: 700-046-8
• UNII: 5452CN8QMZ
• DSSTox Substance ID: DTXSID40359261
• Nikkaji Number: J587.176J
• Wikidata: Q72483459
• Mol file: 16004-15-2.mol

Synonyms:4-Iodobenzyl bromide;16004-15-2;1-(bromomethyl)-4-iodobenzene;p-iodobenzyl bromide;alpha-Bromo-4-iodotoluene;4-iodobenzylbromide;1-Bromomethyl-4-iodo-benzene;BENZENE, 1-(BROMOMETHYL)-4-IODO-;5452CN8QMZ;EC 700-046-8;1-(bromomethyl)-4-iodo-benzene;4-(bromomethyl)-1-iodobenzene;4-Iodo benzyl bromide;MFCD00209656;4-iodo-benzylbromide;4-iodo-benzyl bromide;4-monoiodobenzyl bromide;1-bromomethyl-4-iodobenzene;UNII-5452CN8QMZ;4-Iodobenzyl bromide, 95%;SCHEMBL127491;DTXSID40359261;BBL028392;STL380399;AKOS000294942;CS-W007775;GS-3214;AC-20680;p-odobenzyl bromide;a-bromo-4-iodotoluene;AM20030077;FT-0618788;I0571;EN300-92110;A24586;J-009669

Chemical Property of 4-Iodobenzyl bromide

Chemical Property:

• Appearance/Colour: light yellow adhering crystalline powder
• Vapor Pressure: 0.0202mmHg at 25°C
• Melting Point: 77-82 °C
• Refractive Index: 1.656
• Boiling Point: 260.1 °C at 760 mmHg
• Flash Point: 111.1 °C
• PSA: 0.00000
• Density: 2.105 g/cm³
• LogP: 3.18610
• Storage Temp.: 2-8°C
• Sensitive.: Light Sensitive/Lachrymatory
• Water Solubility.: Insoluble in water.
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 295.86976
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

4-Iodobenzyl Bromide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C,T
• Hazard Codes: C,T
• Statements: 34-63-42/43-36/37/38
• Safety Statements: 26-36/37/39-45-23

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CBr)I
• Uses: 4-Iodobenzyl bromide is used as an organic chemical synthesis intermediate.

Technology Process of 4-Iodobenzyl bromide

There total 10 articles about 4-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: 95.0%

4-iodo-benzyl alcohol (18282-51-4) → 1-bromomethyl-4-iodobenzene (16004-15-2)

Guidance literature:

With functionalised triphenylphosphine monolith; In dichloromethane; for 1.25h; Inert atmosphere;

DOI:10.3762/bjoc.7.194

Reference yield: 91.0%

4-tolyl iodide (624-31-7) → 1-bromomethyl-4-iodobenzene (16004-15-2)

Guidance literature:

With N-Bromosuccinimide; dibenzoyl peroxide; In tetrachloromethane; Reflux;

DOI:10.1021/ma401085q

Reference yield: 45.0%

4-tolyl iodide (624-31-7) + azobisisobutyronitrile (34241-39-9) → 1-bromomethyl-4-iodobenzene (16004-15-2)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane;

upstream raw materials:

bromocyane

4-tolyl iodide

4-iodo-benzyl alcohol

1-(4-iodophenyl)-N,N-dimethylmethanamine

Downstream raw materials:

1-(4-iodophenyl)-N,N-dimethylmethanamine

4-iodo-benzyl alcohol

(4-iodophenyl)methyl acetate

2-(4-iodobenzyl)-isoindoline-1,3-dione