CID 53445294

Base Information

• Chemical Name: CID 53445294
• CAS No.: 1008-72-6
• Molecular Formula: C7H5NaO4S
• Molecular Weight: 208.17
• Hs Code.: 29130000
• Mol file: 1008-72-6.mol

Synonyms:SCHEMBL549939;IQXNHMVROFUCTR-UHFFFAOYSA-N

Chemical Property of CID 53445294

Chemical Property:

• Appearance/Colour: white to beige crystalline powder
• Vapor Pressure: 0Pa at 25℃
• Boiling Point: 562.39℃[at 101 325 Pa]
• PSA: 82.65000
• Density: 1.503 g/cm³
• LogP: 1.48400
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility.: H2O: soluble1g/10 mL, clear, colorless to faintly brownish-yello
• Water Solubility.: 1000g/L at 25℃
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 208.98844912
• Heavy Atom Count: 13
• Complexity: 251

Purity/Quality:

99% ^*data from raw suppliers

2-Sulfobenzaldehyde Sodium Salt ^*data from reagent suppliers

Safty Information:

• Statements: 20/21/22
• Safety Statements: 22-24/25-36/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=O)S(=O)(=O)O.[Na]
• Uses: 2-Formylbenzenesulfonic acid sodium salt was used as precursor to test the ability of fungal strains for transformation of phenolic and non-phenolic precursors into stable and non-toxic dyes.

Technology Process of CID 53445294

There total 14 articles about CID 53445294 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:

Sodium; 2-[(E)-benzylimino-methyl]-benzenesulfonate → sodium 2-formylbenzenesulfonate (1008-72-6) + benzylamine (100-46-9)

Guidance literature:

In water; at 25 ℃; Equilibrium constant;

DOI:10.1002/poc.941

Reference yield:

Sodium; 2-[(E)-carbamoylmethylimino-methyl]-benzenesulfonate → sodium 2-formylbenzenesulfonate (1008-72-6) + H-Gly-NH2 (598-41-4)

Guidance literature:

In water; at 25 ℃; Equilibrium constant;

DOI:10.1002/poc.941

Reference yield:

Sodium; 2-{[(E)-2-methyl-cyclohexylimino]-methyl}-benzenesulfonate → 2-METHYLCYCLOHEXYLAMINE (7003-32-9) + sodium 2-formylbenzenesulfonate (1008-72-6)

Guidance literature:

In water; at 25 ℃; Equilibrium constant;

DOI:10.1002/poc.941

upstream raw materials:

2-chloro-benzaldehyde

Downstream raw materials:

1-{4-oxo-2-tioxo-3-ethyl-thiazolidinylidene-⁽⁵⁾-methyl}-benzenesulfonic acid-⁽²⁾

2H-1,2,3-benzothiadiazine 1,1-dioxide

Refernces

• 1、 Godoy-Alcantar,Yatsimirsky, Anatoly K.,Lehn. "Structure-stability correlations for imine formation in aqueous solution". . p. 979 - 985. Retrieved 2007/10/03.