3,5-Dichloro-2-hydroxybenzenesulfonyl chloride

Base Information

• Chemical Name: 3,5-Dichloro-2-hydroxybenzenesulfonyl chloride
• CAS No.: 23378-88-3
• Molecular Formula: C6H3 Cl3 O3 S
• Molecular Weight: 261.513
• Hs Code.: 2908999090
• European Community (EC) Number: 245-619-9
• DSSTox Substance ID: DTXSID80177926
• Nikkaji Number: J149.838J
• Wikidata: Q69758929
• Mol file: 23378-88-3.mol

Synonyms:3,5-Dichloro-2-hydroxybenzenesulfonyl chloride;23378-88-3;Benzenesulfonyl chloride, 3,5-dichloro-2-hydroxy-;3,5-Dichloro-2-hydroxybenzenesulphonyl chloride;3,5-dichloro-2-hydroxybenzene-1-sulfonyl chloride;3,5-Dichloro-2-hydroxybenzenesulfonylchloride;EINECS 245-619-9;2,4-Dichlorophenol-6-sulfonyl chloride;3,5-dichloro-2-hydroxy-benzenesulfonyl chloride;SCHEMBL184213;KXFQRJNVGBIDHA-UHFFFAOYSA-;DTXSID80177926;MFCD00007432;STL183300;AKOS015916412;2,4-Dichloro-6-(chlorosulfonyl)phenol;BS-42170;CS-0259158;FT-0614536;3,5-dichloro-2-hydroxyphenylsulfonyl chloride;2-hydroxy-3,5-dichlorobenzenesulfonyl chloride;EN300-725114;3,5 dichloro-2-hydroxybenzene sulfonyl chloride;J-015094;3,5-Dichloro-2-hydroxybenzenesulfonyl chloride, 99%;F0001-0810

Chemical Property of 3,5-Dichloro-2-hydroxybenzenesulfonyl chloride

Chemical Property:

• Vapor Pressure: 1.18E-05mmHg at 25°C
• Melting Point: 78-84oC
• Boiling Point: 359°C at 760 mmHg
• PKA: 4.03±0.50(Predicted)
• Flash Point: 170.9°C
• PSA: 62.75000
• Density: 1.761g/cm³
• LogP: 3.70730
• Storage Temp.: Store below +30°C.
• Sensitive.: Moisture Sensitive
• Water Solubility.: Hydrolyzes in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 259.886848
• Heavy Atom Count: 13
• Complexity: 273

Purity/Quality:

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

3,5-Dichloro-2-hydroxybenzenesulfonyl chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): C
• Hazard Codes: C
• Statements: 34
• Safety Statements: 26-36/37/39-45

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1S(=O)(=O)Cl)O)Cl)Cl
• Uses: 3,5-Dichloro-2-hydroxybenzenesulfonyl chloride is used in the synthesis of (1R,2R)-(+)-1,2-(3,3?,5,5?-tetrachloro-2,2?-dihydroxydibenzenesulfonamido)-1,2-diphenylethane1 and (1R,2R)-(+)- 1,2-(3,3?,5,5?-tetrachloro-2,2?-dihydroxydibenzenesulfonamido)cyclohexane. It was used as chromogenic system in one-step kinetic method for the determination of 5?-nucleotidase.

Technology Process of 3,5-Dichloro-2-hydroxybenzenesulfonyl chloride

There total 2 articles about 3,5-Dichloro-2-hydroxybenzenesulfonyl 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: 85.0%

→ 3,5-dichloro-2-hydroxybenzenesulfonyl chloride (23378-88-3)

Guidance literature:

With chlorosulfonic acid; at -10 ℃;

Reference yield: 78.0%

2,4-dichlorophenol (120-83-2,40477-79-0) → 3,5-dichloro-2-hydroxybenzenesulfonyl chloride (23378-88-3)

Guidance literature:

With chlorosulfonic acid; for 1h; Ambient temperature;

Reference yield: 98.0%

3,5-dichloro-2-hydroxybenzenesulfonyl chloride (23378-88-3) + 5-phenyl-O-anisidine (39811-17-1) → 3,5-dichloro-2-hydroxy-N-(4-methoxy[1,1'-biphenyl]-3-yl)benzenesulfonamide (943962-47-8)

Guidance literature:

With pyridine; at 25 ℃; for 2h; Inert atmosphere;

upstream raw materials:

2,4-dichlorophenol

Downstream raw materials:

3,5-dichloro-2-methoxybenzene-1-sulfonyl chloride

3,5-dichloro-2-(benzyloxy)benzenesulfonyl chloride

3,5-dichloro-2-hydroxythiophenol

3,5-Dichloro-2-hydroxy-benzenesulfonyl azide

Refernces

• 1、 -. "As neuroprotective agents of pharmaceutical compounds". Paragraph 0216; 0217; 0218; 0219. . Retrieved 2019/06/26.
• 2、 Cremlyn, R. J.,Swinbourne, F. J.,Fitzgerald, P.,Godfrey, N.,Hedges, P.,et al.. "Chlorosulfonation of Some Aromatic Compounds". . p. 962 - 968. Retrieved 2007/10/02.