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
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)
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
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.
N-Bromosuccinimide Price
- Product number
- 189278
- Product name
- p-Toluenesulfonyl isocyanate
- Purity
- 97%
- Packaging
- 25g
- Price
- $43.1
- Updated
- 2024/03/01
- Product number
- 189278
- Product name
- p-Toluenesulfonyl isocyanate
- Purity
- 97%
- Packaging
- 100g
- Price
- $45.3
- Updated
- 2024/03/01
- Product number
- T0998
- Product name
- p-Toluenesulfonyl Isocyanate
- Purity
- >97.0%(T)
- Packaging
- 25g
- Price
- $18
- Updated
- 2024/03/01
- Product number
- T0998
- Product name
- p-Toluenesulfonyl Isocyanate
- Purity
- >97.0%(T)
- Packaging
- 100g
- Price
- $31
- Updated
- 2024/03/01
- Product number
- A17492
- Product name
- p-Toluenesulfonyl isocyanate, 95%
- Packaging
- 25g
- Price
- $20.65
- Updated
- 2024/03/01
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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View Lastest Price from p-Toluenesulfonyl Isocyanate manufacturers
- 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
- Product
- Tosyl isocyanate 4083-64-1
- Price
- US $120.00/kg
- Min. Order
- 1kg
- Purity
- 99%
- Supply Ability
- 20ton
- Release date
- 2024-06-04
- 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