Butane-1,4-disulfonic acid

Base Information

• Chemical Name: Butane-1,4-disulfonic acid
• CAS No.: 27665-39-0
• Molecular Formula: C4H10O6S2
• Molecular Weight: 218.252
• Hs Code.: 2904100000
• European Community (EC) Number: 700-472-4
• UNII: PMN33S9CGX
• DSSTox Substance ID: DTXSID70276215
• Nikkaji Number: J636.261C
• Wikidata: Q82006621
• Mol file: 27665-39-0.mol

Synonyms:butane-1,4-disulfonic acid;27665-39-0;1,4-Butanedisulfonic acid;1,4-Butane-disulfonate;NSC240399;EC 700-472-4;1,4-Butanedisulfonicacid;1,4-Disulfobutane;butane-1,4-disulfonate;PMN33S9CGX;butane-1,4-disulfonicacid;1,4-Butanedisulfonic acid-;1,4 Butane Disulfonic Acid;SCHEMBL35183;DTXSID70276215;BCP12757;MFCD09839759;AKOS016000533;DS-2980;AS-80789;CS-0197106;FT-0652601;E73886;A819148;A823305;Q-200769;butane-1,4-disulfonic acid,butane-1,4-disulfonic acid hydrate

Chemical Property of Butane-1,4-disulfonic acid

Chemical Property:

• Melting Point: 84 °C
• PKA: 1.41±0.50(Predicted)
• PSA: 125.50000
• Density: 1.657 g/cm³
• LogP: 1.70380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -1.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 5
• Exact Mass: 217.99188038
• Heavy Atom Count: 12
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

Butane-1,4-disulfonicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCS(=O)(=O)O)CS(=O)(=O)O

Technology Process of Butane-1,4-disulfonic acid

There total 2 articles about Butane-1,4-disulfonic 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:

1,4-butanedisulfonic acid disodium salt (36589-61-4) → 1,4-butanedisulphonic acid (27665-39-0)

Guidance literature:

With Amberlyst 36 (wet) ion-exchange resin;

DOI:10.1021/ja106106d

Reference yield:

→ 1,4-butanedisulphonic acid (27665-39-0)

Guidance literature:

(NH4)2SO3 o. Na2SO3 o. K2SO3, 1) Cl(CH2)4Cl o. Br(CH2)4Br, 2) Kationenaustausch;

Reference yield:

nilotinib (641571-10-0) + 1,4-butanedisulphonic acid (27665-39-0) → 4-methyl-N-[3-(4-methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]-3-[[4-(3-pyridinyl)-2-pyrimidinyl]amino]benzamide 1,4-butanedisulphonate

Guidance literature:

In water; at 50 - 55 ℃; for 2h; Time;

upstream raw materials:

1,4-butanedisulfonic 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.