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p-Toluenesulfonyl isocyanate, 95%, Thermo Scientific Chemicals

Catalog No. AAA1749222
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It is a reagent used to prepare acetylated syn-1,2-diols,oxazolidin-2-ones, 2,3-diamino acids, and N-tosylcarbonamides. -Toluenesulfonyl isocyanate has been used as derivatization reagent in determination of 3-α-hydroxy tibolone in human plasma by LC-MS/MS. It is also employed in the derivatization reagent in simultaneous quantitative analysis of diethylene glycol and propylene glycol in pharmaceutical products by HPLC and as reagent in the preparation of acetylated syn-1,2-diols, oxazolidin-2-ones, 2,3-diamino acids and N-tosylcarbonamides.

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Applications
It is a reagent used to prepare acetylated syn-1,2-diols,oxazolidin-2-ones, 2,3-diamino acids, and N-tosylcarbonamides. -Toluenesulfonyl isocyanate has been used as derivatization reagent in determination of 3-α-hydroxy tibolone in human plasma by LC-MS/MS. It is also employed in the derivatization reagent in simultaneous quantitative analysis of diethylene glycol and propylene glycol in pharmaceutical products by HPLC and as reagent in the preparation of acetylated syn-1,2-diols, oxazolidin-2-ones, 2,3-diamino acids and N-tosylcarbonamides.

Solubility
Reacts with water.

Notes
Keep away from alcohols, strong bases, amines, strong oxidizing agents.

Chemical Identifiers

CAS

4083-64-1

Molecular Formula

C8H7NO3S

Molecular Weight (g/mol)

197.21

MDL Number

MFCD00002030

InChI Key

VLJQDHDVZJXNQL-UHFFFAOYSA-N

Synonym

tosyl isocyanate, p-toluenesulfonyl isocyanate, 4-methylbenzenesulfonyl isocyanate, p-toluenesulphonyl isocyanate, benzenesulfonyl isocyanate, 4-methyl, tosylisocyanate, p-tolylsulfonyl isocyanate, unii-h9004fjx6v, p-toluenesulfonic acid, anhydride with isocyanic acid, p-toluene sulfonyl isocyanate

PubChem CID

77703

IUPAC Name

4-methyl-N-(oxomethylidene)benzenesulfonamide

SMILES

CC1=CC=C(C=C1)S(=O)(=O)N=C=O

Specifications

Melting Point

5°C

Density

1.295

Boiling Point

144°C (10 mmHg)

Flash Point

145°C (293°F)

Odor

Irritating

Refractive Index

1.535

Quantity

100 g

UN Number

UN2206

Beilstein

391287

Sensitivity

Moisture sensitive

Solubility Information

Reacts with water.

Formula Weight

197.21

Percent Purity

95%

Chemical Name or Material

p-Toluenesulfonyl isocyanate

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Hazard Category

H315-H319-H334-H335-H336

Hazard Statement

GHS H Statement
H334-H335-H315-H319
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
May cause respiratory irritation.
Causes skin irritation.
Causes serious eye irritation.

Precautionary Statement

P261-P264b-P271-P280-P285-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P331-P332+P313-P342+P311-P362-P501c

DOTInformation

Transport Hazard Class: 6.1; Packing Group: III; Proper Shipping Name: ISOCYANATES, TOXIC, N.O.S.

EINECSNumber

223-810-8

RTECSNumber

DB9032000

TSCA

Yes

Recommended Storage

Ambient temperatures
SDS

RUO – Research Use Only

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