2-Formylbenzene-1-sulfonyl chloride

Base Information

• Chemical Name: 2-Formylbenzene-1-sulfonyl chloride
• CAS No.: 21639-41-8
• Molecular Formula: C7H5ClO3S
• Molecular Weight: 204.634
• Hs Code.: 2913000090
• European Community (EC) Number: 885-787-6
• DSSTox Substance ID: DTXSID80176030
• Nikkaji Number: J1.610.061G
• Wikidata: Q83046366
• Mol file: 21639-41-8.mol

Synonyms:2-formylbenzene-1-sulfonyl chloride;2-formylbenzenesulfonyl chloride;21639-41-8;O-FORMYLBENZENESULFONYL CHLORIDE;o-formyl-benzenesulfonylchloride;SCHEMBL1647327;2-formylbenzenesulphonyl chloride;DTXSID80176030;GSUMVXPZWCITFC-UHFFFAOYSA-N;2-formylbenzene-1-sulfonylchloride;MFCD10697733;AKOS006240265;AB60361;CS-0252670;EN300-61171;Z959662504

Chemical Property of 2-Formylbenzene-1-sulfonyl chloride

Chemical Property:

• Vapor Pressure: 0.000133mmHg at 25°C
• Melting Point: 114-115.5 °C
• Boiling Point: 333.9°C at 760 mmHg
• Flash Point: 155.7°C
• PSA: 59.59000
• Density: 1.485g/cm³
• LogP: 2.50740
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 203.9647929
• Heavy Atom Count: 12
• Complexity: 254

Purity/Quality:

99% ^*data from raw suppliers

2-FORMYLBENZENE-1-SULFONYL CHLORIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C=O)S(=O)(=O)Cl

Technology Process of 2-Formylbenzene-1-sulfonyl chloride

There total 11 articles about 2-Formylbenzene-1-sulfonyl chloride 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: 54.0%

2-(1,3-dioxolan-2-yl)benzenesulfonyl chloride (1523415-79-3) → 2-formylbenzene-1-sulfonyl chloride (21639-41-8)

Guidance literature:

With sulfuric acid; In chloroform; at 20 ℃; for 30h;

DOI:10.1016/j.tet.2013.11.058

Reference yield: 50.0%

sodium 2-formylbenzenesulfonate (1008-72-6) → 2-formylbenzene-1-sulfonyl chloride (21639-41-8)

Guidance literature:

sodium 2-formylbenzenesulfonate; With thionyl chloride; at 20 ℃; for 0.166667h;

With N,N-dimethyl-formamide; at 20 ℃; for 0.0833333h; Reflux;

DOI:10.1021/acs.jmedchem.1c00401

Reference yield: 45.0%

sodium phenylsulfonate (515-42-4) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 2-formylbenzene-1-sulfonyl chloride (21639-41-8)

Guidance literature:

With thionyl chloride; at 100 ℃; for 0.05h;

upstream raw materials:

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

sodium 2-formylbenzenesulfonate

2-sulfobenzaldehyde

ortho-bromobenzaldehyde

Downstream raw materials:

2-(bis-acetoxymethyl)phenylsulfonyl chloride

N-iso-propyl 2-<(isopropylimino)methyl>benzenesulfonamide

2-(1,1-Dimethylethyl)-2,3-dihydro-1,2-benzisothiazole-3-ol, 1,1-dioxide

N-t-butyl 2-<(t-butylimino)methyl>benzenesulfonamide