4,4'-Biphenyldisulfonic acid

Base Information

• Chemical Name: 4,4'-Biphenyldisulfonic acid
• CAS No.: 5314-37-4
• Deprecated CAS: 1176203-47-6
• Molecular Formula: C12H10O6S2
• Molecular Weight: 314.34
• Hs Code.: 2904100000
• European Community (EC) Number: 678-023-6
• NSC Number: 6781
• UNII: DN3PEG36A5
• DSSTox Substance ID: DTXSID6063771
• Nikkaji Number: J7.968E
• Wikidata: Q72443707
• Mol file: 5314-37-4.mol

Synonyms:4,4'-dihydroxybiphenyl-O-disulfonic acid;4,4'-dihydroxybiphenyl-O-disulfonic acid, dipotassium salt;4,4'-dihydroxybiphenyl-O-disulfonic acid, disodium salt;DOHBPSA

Chemical Property of 4,4'-Biphenyldisulfonic acid

Chemical Property:

• Melting Point: 72.5°C
• Refractive Index: 1.6950 (estimate)
• Boiling Point: 424.02°C (rough estimate)
• PKA: -1.14±0.50(Predicted)
• Flash Point: >230?°F
• PSA: 125.50000
• Density: 1.569 g/cm³
• LogP: 4.00860
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: very faint turbidity
• XLogP3: 1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 313.99188038
• Heavy Atom Count: 20
• Complexity: 461

Purity/Quality:

98%,99%, ^*data from raw suppliers

4,4'-Biphenyldisulfonic Acid >98.0%(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Benzenesulfonic Acid Derivatives
• Canonical SMILES: C1=CC(=CC=C1C2=CC=C(C=C2)S(=O)(=O)O)S(=O)(=O)O

Technology Process of 4,4'-Biphenyldisulfonic acid

There total 8 articles about 4,4'-Biphenyldisulfonic 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: 99.0%

(1,1'-biphenyl)-4,4'-dithiol (6954-27-4) → 4,4'-biphenyldisulfonic acid (5314-37-4)

Guidance literature:

With water; dihydrogen peroxide; In methanol; chloroform; at 20 ℃; for 16h;

DOI:10.1055/s-0030-1260123

Reference yield:

biphenyl (92-52-4,1594-86-1) → 4,4'-biphenyldisulfonic acid (5314-37-4)

Guidance literature:

With sulfuric acid; at 140 ℃;

DOI:10.1002/hlca.19310140410

Reference yield:

4-(4-bromophenyl)bromobenzene (92-86-4) → 4,4'-biphenyldisulfonic acid (5314-37-4)

Guidance literature:

Multi-step reaction with 3 steps

1: N,N-dimethyl acetamide / 18 h / 100 °C / Inert atmosphere

2: sodium / N,N-dimethyl acetamide / 20 h / 100 °C / Inert atmosphere

3: water; dihydrogen peroxide / methanol; chloroform / 16 h / 20 °C

With water; dihydrogen peroxide; sodium; In methanol; chloroform; N,N-dimethyl acetamide;

DOI:10.1055/s-0030-1260123

upstream raw materials:

biphenyl

4,4'-biphenyldisulfonic acid disodium salt

4-(4-bromophenyl)bromobenzene

(1,1'-biphenyl)-4,4'-dithiol

Downstream raw materials:

4,4'-biphenyldisulfonic acid disodium salt

Refernces

• 1、 Soegiarto, Airon C.,Comotti, Angiolina,Ward, Michael D.. "Controlled orientation of polyconjugated guest molecules in tunable host cavities". experimental part. p. 14603 - 14616. Retrieved 2010/12/25.