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
- Molecular Weight:
- 197.21
- MOL File:
- 4083-64-1.mol
- MSDS File:
- SDS
- Modify Date:
- 2024/8/1 17:24:36
| 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 |
n |
| Flash point | >230 °F |
| storage temp. | under inert gas (nitrogen or Argon) at 2-8°C |
| form | Liquid |
| Specific Gravity | 1.291.291 |
| color | Clear colorless to yellow |
| 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
Risk and Safety Statements
| Symbol(GHS) |   GHS07,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H315-H319-H334-H335 | |||||||||
| Precautionary statements | P261-P264-P271-P280-P302+P352-P305+P351+P338 | |||||||||
| 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 | |||||||||
| NFPA 704 |
|
p-Toluenesulfonyl Isocyanate price More Price(14)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich(India) | 41368 | p-Toluenesulfonyl isocyanate for HPLC derivatization, LiChropur?, ≥98.0% (GC) | 4083-64-1 | 10ML | ₹4167.63 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 41368 | p-Toluenesulfonyl isocyanate for HPLC derivatization, LiChropur?, ≥98.0% (GC) | 4083-64-1 | 10X1ML | ₹19744.8 | 2022-06-14 | Buy |
| Sigma-Aldrich | 189278 | p-Toluenesulfonyl isocyanate 96% | 4083-64-1 | 25G | ₹2349.03 | 2022-06-14 | Buy |
| Sigma-Aldrich(India) | 189278 | p-Toluenesulfonyl isocyanate 96% | 4083-64-1 | 25G | ₹2349.03 | 2022-06-14 | Buy |
| Sigma-Aldrich | 189278 | p-Toluenesulfonyl isocyanate 96% | 4083-64-1 | 100G | ₹4503.2 | 2022-06-14 | Buy |
p-Toluenesulfonyl Isocyanate Chemical Properties,Uses,Production
Chemical Properties
clear liquid
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
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.
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
| Supplier | Tel | Country | ProdList | Advantage | Inquiry |
|---|---|---|---|---|---|
| Paushak Limited | +91-2653007932 +91-9727736899 | Vadodara, India | 59 | 58 | Inquiry |
| Alfa Aesar | 1 800 209 7001 | Maharashtra, India | 6913 | 58 | Inquiry |
| G.c.intl | 08048372245Ext 789 | Mumbai, India | 105 | 58 | Inquiry |
| Manav Biochem Impex Private Limited | 08048987846 | Mumbai, India | 198 | 58 | Inquiry |
| Clearsynth Labs | 91-22-45045900 | Maharashtra, India | 3889 | 58 | Inquiry |
| Pharmaffiliates Analytics & Synthetics (P) Ltd. | 91-172-5066494 | Haryana, India | 631 | 58 | Inquiry |
| Manav Bio -Chem Impex Pvt Ltd | 91-22-25916910 | Maharashtra, India | 204 | 58 | Inquiry |
| Paushak Ltd. (part of Alembic Group) | 91-265-3007932 | Gujarat, India | 12 | 58 | Inquiry |
| TCI Chemicals (India) Pvt. Ltd. | 1800 425 7889 | New Delhi, India | 6778 | 58 | Inquiry |
| A.J Chemicals | 91-9810153283 | New Delhi, India | 6124 | 58 | Inquiry |
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