ChemicalBook > CAS DataBase List > p-Toluenesulfonyl Isocyanate

p-Toluenesulfonyl Isocyanate

Product Name
p-Toluenesulfonyl Isocyanate
CAS No.
4083-64-1
Chemical Name
p-Toluenesulfonyl Isocyanate
Synonyms
PTSI;p-Tosyl isocyanate;P-TOLUENESULPHONYL ISOCYANATE;TOSYL ISOCYANATE;Ptsl;MSI/PTSI;POLYLINK PTSI;PARA-TOSYLISOCYANATE;TOSYL ISOCYANATE (PTSI);Sulfone, isocyanato tolyl
CBNumber
CB8256995
Molecular Formula
C8H7NO3S
Formula Weight
197.21
MOL File
4083-64-1.mol
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p-Toluenesulfonyl Isocyanate Property

Melting point:
5°C
Boiling point:
144 °C10 mm Hg(lit.)
Density 
1.291 g/mL at 25 °C(lit.)
vapor pressure 
1 mm Hg ( 100 °C)
refractive index 
n20/D 1.534(lit.)
Flash point:
>230 °F
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
form 
Liquid
color 
Clear colorless to yellow
Specific Gravity
1.291.291
Odor
acrid odor
Water Solubility 
reacts
Sensitive 
Moisture Sensitive
BRN 
391287
InChIKey
VLJQDHDVZJXNQL-UHFFFAOYSA-N
LogP
0.6 at 30℃
CAS DataBase Reference
4083-64-1(CAS DataBase Reference)
NIST Chemistry Reference
4-Methylbenzenesulfonyl isocyanate(4083-64-1)
EPA Substance Registry System
Benzenesulfonyl isocyanate, 4-methyl- (4083-64-1)
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Safety

Hazard Codes 
Xn
Risk Statements 
14-36/37/38-42
Safety Statements 
26-28-30-28A
RIDADR 
UN 2206 6.1/PG 3
WGK Germany 
1
RTECS 
DB9032000
F 
10
TSCA 
Yes
HazardClass 
6.1
PackingGroup 
III
HS Code 
29309090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Danger
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H334May cause allergy or asthma symptoms or breathing difficulties if inhaled

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

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N-Bromosuccinimide Price

Sigma-Aldrich
Product number
189278
Product name
p-Toluenesulfonyl isocyanate
Purity
97%
Packaging
25g
Price
$43.1
Updated
2024/03/01
Sigma-Aldrich
Product number
189278
Product name
p-Toluenesulfonyl isocyanate
Purity
97%
Packaging
100g
Price
$45.3
Updated
2024/03/01
TCI Chemical
Product number
T0998
Product name
p-Toluenesulfonyl Isocyanate
Purity
>97.0%(T)
Packaging
25g
Price
$18
Updated
2024/03/01
TCI Chemical
Product number
T0998
Product name
p-Toluenesulfonyl Isocyanate
Purity
>97.0%(T)
Packaging
100g
Price
$31
Updated
2024/03/01
Alfa Aesar
Product number
A17492
Product name
p-Toluenesulfonyl isocyanate, 95%
Packaging
25g
Price
$20.65
Updated
2024/03/01
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p-Toluenesulfonyl Isocyanate Chemical Properties,Usage,Production

Chemical Properties

clear liquid

Uses

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.

Uses

p-Toluenesulfonyl isocyanate is a reagent used to prepare acetylated syn-1,2-diols,1 oxazolidin-2-ones,2 2,3-diamino acids,3 and N-tosylcarbonamides.4

Synthesis Reference(s)

Tetrahedron Letters, 35, p. 9609, 1994 DOI: 10.1016/0040-4039(94)88523-0

General Description

p-Toluenesulfonyl isocyanate undergoes palladium-catalyzed bis-allylation reaction with allylstannanes and allyl chlorides.

Reactivity Profile

p‐Toluenesulfonyl Isocyanate (PTSI) is recommended especially for one‐component, low‐VOC polyurethane coatings. The reaction of PTSI with water introduced from pigments and solvents in the paint formulation generates carbon dioxide and soluble inert chemical products. Experience has demonstrated that 13 grams of PTSI effectively scavenges 1 gram of water. PTSI reacts with water in a 1 to 1 molar ratio, generating PTSA and carbon dioxide gas. This reaction occurs readily at room temperature and does not require heating. The PTSA generated in the process is essentially an inert material that does not further react with PTSI or other isocyanate groups, resulting in the formation of insoluble ureas. The hydroxyl group is reacted with excess p-toluenesulfonyl isocyanate (TSI) to form an acidic carbamate. Water is added to convert unreacted isocyanate to sulfonamide, followed by direct potentiometric titration of the acidic carbamate with tetrabutylammonium hydroxide (Bu4NOH) in nonaqueous medium.

Hazard

Moderately toxic by ingestion. Low toxicity by inhalation. A mild skin and moderate eye irritant.

Safety

Danger! Harmful if swallowed, inhaled or absorbed through the skin. Causes skin and severe eye irritation. It may cause an allergic respiratory response. Reacts spontaneously and violently with water, alcohols, amines, acids and alkaline solutions. These substances should not be poured into a vessel containing PTSI. Prolonged exposure of PTSI to elevated temperatures can result in violent decomposition. Temperatures above 170?C are to be avoided. Reaction with water results in the generation of carbon dioxide. Reaction vessels should be vented to avoid pressure build‐up. Vent through a calcium chloride tube to prevent moisture from entering vessels. Do not get in the eyes, on the skin, or clothing. Avoid breathing vapour or mist. Keep the container closed. Use with adequate ventilation. Wash thoroughly after handling. If handled indoors, provide adequate mechanical exhaust ventilation or wear NIOSH/MSHA approved air ‐line respirator or SCBA. Wear impervious PVC or rubber gloves, goggles, and protective clothing. PTSI must be stored in air‐tight containers.

Synthesis

Add the organic azide 4-methylbenzenesulfonyl azide (0.75 mmol), Pd(OAc)2 (5.6 mg, 5 mol%) to an oven-dried Schlenk tube (10 mL). Purge the tube and backfill with CO (three cycles) from a balloon. Inject anhydrous MeCN (3.0 mL) into the tube. Stir at 80 ℃ for 4 h under the CO atmosphere (balloon). Concentrate the mixture under reduced pressure. Purify the residue by column chromatography (petroleum ether/EtOAc 3:1.-.1:1) to afford p-Toluenesulfonyl Isocyanate.

p-Toluenesulfonyl Isocyanate Preparation Products And Raw materials

Raw materials

Preparation Products

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p-Toluenesulfonyl Isocyanate Suppliers

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View Lastest Price from p-Toluenesulfonyl Isocyanate manufacturers

HEBEI SHENGSUAN CHEMICAL INDUSTRY CO.,LTD
Product
p-Toluenesulfonyl Isocyanate 4083-64-1
Price
US $100.00-75.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
5000
Release date
2024-08-21
Hebei Zhuanglai Chemical Trading Co.,Ltd
Product
Tosyl isocyanate 4083-64-1
Price
US $120.00/kg
Min. Order
1kg
Purity
99%
Supply Ability
20ton
Release date
2024-06-04
BLiT (Hefei)Chemical Co.,Ltd
Product
p-Toluenesulfonyl Isocyanate 4083-64-1
Price
US $0.00-0.00/KG
Min. Order
1KG
Purity
98%
Supply Ability
3000 tons
Release date
2024-07-02

4083-64-1, p-Toluenesulfonyl IsocyanateRelated Search:

Chloral hydrate Sulfosulfuron Chlorosulfonyl isocyanate Tosyl cyanide Dimethyl sulfone p-Toluenesulfonamide Sodium p-toluenesulfinate p-Tolyl isocyanate P-Toluenesulfonic anhydride Tosyl chloride Sodium p-toluenesulfonate p-Toluenesulfonic acid p-Toluenesulfonic acid monohydrate p-Toluenesulfonyl semicarbazide Tosyl azide 4-Methylbenzenesulfonhydrazide Ethyl p-toluenesulfonate Diethyl (tosyloxy)methylphosphonate

  • 4-Isocyanatosulphonyltoluene,
  • p-Toluenesulfonyl isocyanate, 96%, AcroSeal
  • Isocyanicacid, anhydride with p-toluenesulfonic acid (6CI)
  • p-Toluenesulfonyl isocyanate 96%
  • p-Toluenesulfonyl isocyanate, 96%, SpcSeal
  • p-Toluenesulfonylisocyanate,95%
  • Benzenesulfonyl isocyanate, 4-methyl-
  • Benzenesulfonylisocyanate,4-methyl-
  • p-Methylphenylsulfonyl isocyanate
  • p-Toluenesulfonic acid, anhydride with isocyanic acid
  • p-Toluensulfonyl isocyanate
  • p-Tolylsulfonyl isocyanate
  • p-Tosyl isocyanate
  • Sulfone, isocyanato tolyl
  • P-TOLUENESULFONYL ISOCYANATE
  • P-TOLUENESULPHONYL ISOCYANATE
  • PTSI
  • TOLUENE-4-SULFONYL ISOCYANATE
  • TOSYL ISOCYANATE
  • 4-METHYLBENZENE-1-SULFONYL ISOCYANATE
  • 4-TOLUENESULFONYL ISOCYANATE
  • 4-methyl-benzenesulfonylisocyanat
  • 4-methyl-Benzenesulfonylisocyanate
  • 4-Methylphenylsulfonyl isocyanate
  • PARA-TOSYLISOCYANATE
  • p-Toluolsulfonylisocyanat
  • P-toluenesulfonyl isocyanate (Tosyl isocyanate ,PTSI)
  • p-Toluenesulfonyl Isocyanate, PTSI, Tosyl Isocyanate
  • 4-isocyanatosulphonyltoluene tosyl isocyanate
  • p-Toluenesulfonyl isocyanate,96%
  • p-Toluenesulfonyl isocyanate, AcroSeal, 96%
  • P-toluenesulfony6l isocyanate
  • 4-methylbenzene-1-sulphonyl isocyanate
  • Para Toluene Sulfonyl Isocyanate
  • POLYLINK PTSI
  • P-TOULENESULFONYL ISOCYANATE(TOULENESULFONYL ISOCYANATE)
  • P-TOLUENESULFONYL ISOCYANATE(PTSI)98%
  • TOSYL ISOCYANATE (PTSI)
  • 4-METHYLBENZENESULPHONYLISOCYANATE
  • P**P-TOLUENESULFONYL ISOCYANATE
  • Ptsl
  • 4-Methyl-N-(oxomethylene)benzenesulfonamide
  • MSI/PTSI
  • p-Toluenesulfonyl isocyanate, 96%, AcroSeal&trade
  • 4-methyl-N-(oxomethylidene)benzenesulfonamide
  • 4083-64-1
  • CH3C6H4SO2NCO
  • ISOCYANATE
  • Organic Building Blocks
  • Sulfur Compounds (for Synthesis)
  • Nitrogen Compounds
  • Isocyanates
  • Building Blocks
  • Building Blocks
  • Chemical Synthesis
  • Isocyanates
  • Nitrogen Compounds
  • Organic Building Blocks