121208-93-3

Basic information

• Product Name: 4-HYDROXY-3-IODOBENZENESUFONIC ACID, SODIUM SALT
• Synonyms: 4-HYDROXY-3-IODOBENZENESUFONIC ACID, SODIUM SALT;4-Hydroxy-3-iodo-benzenesulfonic Acid
• CAS NO: 121208-93-3
• Molecular Formula: C₆H₅IO₄S
• Molecular Weight: 322.0528
• Product Categories: Aromatics Compounds;Aromatics;Sulfur & Selenium Compounds;Aromatics, Sulfur & Selenium Compounds
• Mol File: 121208-93-3.mol

Chemical Properties

• Melting Point: >300°C (dec.)
• Appearance: /
• Storage Temp.: -20°C Freezer
• Solubility: DMSO, Methanol, Water
• CAS DataBase Reference: 4-HYDROXY-3-IODOBENZENESUFONIC ACID, SODIUM SALT(CAS DataBase Reference)
• NIST Chemistry Reference: 4-HYDROXY-3-IODOBENZENESUFONIC ACID, SODIUM SALT(121208-93-3)
• EPA Substance Registry System: 4-HYDROXY-3-IODOBENZENESUFONIC ACID, SODIUM SALT(121208-93-3)

Safety Data

• Hazardous Substances Data: 121208-93-3(Hazardous Substances Data)

Usage

Chemical Properties

Off-White Solid

Uses

A diagnostic aid

InChI:InChI=1/C6H5IO4S.Na/c7-5-3-4(12(9,10)11)1-2-6(5)8;/h1-3,8H,(H,9,10,11);/q;+1/p-1/rC6H4INaO4S/c7-5-3-4(1-2-6(5)9)13(10,11)12-8/h1-3,9H

Upstream product

• 533-58-4 2-Iodophenol 

Downstream Products

• 871266-60-3 4-benzyloxy-3-iodobenzenesulfonic acid 
• 871266-62-5 sodium 4-benzyloxy-3-iodobenzenesulfonate 
• 871266-67-0 dibenzyl (S)-2-{2-[5-(5-carbamimidoyl-1H-benzimidazol-2-yl)-6,2'-dihydroxy-5'-sulfamoylbiphenyl-3-yl]acetylamino}succinate 
• 871266-68-1 (6,2'-bisbenzyloxy-5'-N-tert-butylsulfamoyl-5-formylbiphenyl-3-yl)acetic acid methyl ester 
• 871266-69-2 [6,2'-bis-benzyloxy-5'-N-tert-butylsulfamoyl-5-(5-carbamimidoyl-1H-benzimidazolyl-2-yl)biphenyl-3-yl]acetic acid methyl ester hydrochloride 
• 871266-61-4 4-benzyloxy-N-tert-butyl-3-iodobenzenesulfonamide 

Relevant articles and documents

FACTOR VIIA INHIBITOR

The present invention relates to novel inhibitors of Factors VIIa, IXa, Xa, XIa, in particular Factor VIIa, pharmaceutical compositions comprising these inhibitors, and methods for using these inhibitors for treating or preventing thromboembolic disorders

FACTOR VIIA INHIBITOR

The present invention relates to novel inhibitors of Factors VIIa, IXa, Xa, XIa, in particular Factor VIIa, pharmaceutical compositions comprising these inhibitors, and methods for using these inhibitors for treating or preventing thromboembolic disorders

On the intermediacy of phenyl hydrogen sulfates in the sulfonation of phenols. Sulfonation of phenol, anisole, methyl phenyl sulfate, the 2-halogenophenols, a series of phenyl methanesulfonates together with 2,6-dimethylaniline and its N-methylsulfonyl derivative

The sulfonation of methyl phenyl sulfate (4) with concentrated aqueous sulfuric acid at 25 deg C yields the 4-sulfonic acid.This initial product then decomposes to give phenol-4-sulfonic acid, which is subsequently sulfonated to phenol-2,4-disulfonic acid.From the first-order-rate coefficients obtained for sulfonation of phenyl methanesulfonate (3) and (4) in 93,2percent H2SO4, for which acid concentration the sulfonating entity is H2S2O7, the ?p+ values of the OSO2Me and OSO2OMe substituents have been determined to be 0.40 and 0.46, respectively.The sulfonation of both 2-chlorophenyl (10) and 2-methylphenyl methanesulfonate (14) with 2.0 equiv of SO3 in nitromethane at 0.0 deg C yields the 4-sulfonic acid as the exclusive product, whereas 2-methoxyphenyl methanesulfonate (13), under the same conditions, forms exclusively the 5-sulfonic acid. 2-Chloro- (6), 2-bromo- (7) and 2-iodophenol (8) with 1.0 and 4.0 equiv of SO3 in nitromethane yield exclusively the 4-sulfonic acid, while 2-fluorophenol (5) with 2.0 and 5.0 equiv of SO3 yields in addition the 5-sulfonic acid to the extent of 4 and 30percent, respectively.In the reactions of 2,6-dimethylphenol (15) and 2,6-dimethylaniline (17) with at least 1 equiv of SO3 in nitromethane, the 3-SO3H/4-SO3H ratio was found to increase on increasing the relative amount of SO3.For both 15 and 17, the limiting 3-SO3H/4-SO3H ratio at high SO3/ArOH ratios is 86/14 and this value is considered to be the ratio for the sulfonation of both 2,6-dimethylphenyl hydrogen sulfate and 2,6-dimethylaniline-N-sulfonic acid.This assumption is supported by the observation that the sulfonation of 2,6-dimethylphenyl methanesulfonate (16) and N-(methylsulfonyl)-2,6-dimethylaniline (18) with SO3 leads to a similar 3-SO3H/4-SO3H ratio.