3-Bromohexanedioic acid

Base Information

• Chemical Name: 3-Bromohexanedioic acid
• CAS No.: 27491-26-5
• Molecular Formula: C₆H₉BrO₄
• Molecular Weight: 225.039
• NSC Number: 99329
• DSSTox Substance ID: DTXSID10295021
• Mol file: 27491-26-5.mol

Synonyms:27491-26-5;3-bromohexanedioic acid;NSC99329;NCIOpen2_006713;SCHEMBL7149918;DTXSID10295021;NSC-99329

Chemical Property of 3-Bromohexanedioic acid

Chemical Property:

• Vapor Pressure: 2.21E-06mmHg at 25°C
• Boiling Point: 366.8°C at 760 mmHg
• Flash Point: 175.6°C
• Density: 1.725g/cm³
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 223.96842
• Heavy Atom Count: 11
• Complexity: 157

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CC(=O)O)C(CC(=O)O)Br

Technology Process of 3-Bromohexanedioic acid

There total 3 articles about 3-Bromohexanedioic acid 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:

→ 3-Brom-adipinsaeure (27491-26-5)

Guidance literature:

With hydrogen bromide; acetic acid; at 100 ℃; im Einsclussrohre;

Reference yield:

3-Methoxy-1,6-hexandisaeure-dimethylester (75834-34-3) → 3-Brom-adipinsaeure (27491-26-5)

Guidance literature:

With hydrogen bromide; acetic acid; at 100 ℃;

Reference yield:

→ 3-Brom-adipinsaeure (27491-26-5)

Guidance literature:

4-Carbethoxymethylbutyrolacton, HBr;

DOI:10.1002/jlcr.2590060209

upstream raw materials:

3-Methoxy-1,6-hexandisaeure-dimethylester