1-Bromo-3-(2-bromoethyl)benzene

Base Information

• Chemical Name: 1-Bromo-3-(2-bromoethyl)benzene
• CAS No.: 40422-70-6
• Molecular Formula: C8H8 Br2
• Molecular Weight: 263.96
• Hs Code.: 2903999090
• European Community (EC) Number: 627-606-3
• DSSTox Substance ID: DTXSID50559356
• Nikkaji Number: J455.486H
• Wikidata: Q82442049
• Mol file: 40422-70-6.mol

Synonyms:1-Bromo-3-(2-bromoethyl)benzene;40422-70-6;3-Bromophenethyl bromide;3-Bromo-1-(2-bromoethyl)benzene;3-BROMOPHENETHYL BROMIDE 97;Benzene, 1-bromo-3-(2-bromoethyl)-;SCHEMBL705920;3-Bromophenethyl bromide, 97%;DTXSID50559356;1-bromo-3-(2-bromo-ethyl)-benzene;3-(2-bromo-ethyl)-1-bromo-benzene;MFCD07784359;AKOS012020918;DS-7481;PB47648;AC-25646;CS-0171086;EN300-675183;A873346

Chemical Property of 1-Bromo-3-(2-bromoethyl)benzene

Chemical Property:

• Vapor Pressure: 0.0128mmHg at 25°C
• Refractive Index: n20/D 1.595
• Boiling Point: 77-78 °C0.1 mm Hg
• Flash Point: >230 °F
• PSA: 0.00000
• Density: 1.725 g/mL at 25 °C
• LogP: 3.38650
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 263.89723
• Heavy Atom Count: 10
• Complexity: 93.3

Purity/Quality:

97% ^*data from raw suppliers

3-Bromophenethyl bromide 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-43-51/53
• Safety Statements: 36/37-61

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Br)CCBr

Technology Process of 1-Bromo-3-(2-bromoethyl)benzene

There total 5 articles about 1-Bromo-3-(2-bromoethyl)benzene 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: 90.0%

2-(3-bromophenyl)ethan-1-ol (28229-69-8) → 1-bromo-3-(2-bromoethyl)benzene (40422-70-6)

Guidance literature:

With phosphorus tribromide; at 20 ℃; for 16h;

DOI:10.1002/jlcr.1251

Reference yield: 84.0%

3-bromostyrene (2039-86-3,25584-47-8) → 1-bromo-3-(2-bromoethyl)benzene (40422-70-6)

Guidance literature:

With hydrogen bromide; acetic acid; In hexane; at 0 ℃; for 2h;

DOI:10.1039/c6ob00692b

Reference yield: 60.0%

Bromoform (75-25-2) + spiro[2.4]hepta-4,6-diene (765-46-8) → 1-bromo-3-(2-bromoethyl)benzene (40422-70-6)

Guidance literature:

With potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride; In dichloromethane; at 20 ℃; for 3h;

upstream raw materials:

Bromoform

spiro[2.4]hepta-4,6-diene

toluene-4-sulfonic acid-(3-bromo-phenethyl ester)

2-(3-bromophenyl)ethan-1-ol

Downstream raw materials:

1-bromo-3-(2'-iodoethyl)benzene

3-bromostyrene

(1-(3-bromophenethyl)piperidin-4-yl)(4-fluorophenyl)methanone

(1-(3-iodophenethyl)piperidin-4-yl)(4-fluorophenyl)methanone