p-Toluolsulfonylisocyanat
p-Toluenesulfonyl isocyanate
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Grundinformationen
- CAS
4083-64-1- Standard-SMILES
Cc1ccc(S(=O)(=O)N=C=O)cc1- InChIKey
VLJQDHDVZJXNQL-UHFFFAOYSA-N- Summenformel
- C8H7NO3S
- Durchschnittliche Molmasse
- 197,21 g/mol
- Monoisotopische Masse
- 197,01466408
Namen und Bezeichner
- Bevorzugter Name
- p-Toluenesulfonyl isocyanate
- IUPAC
- 4-methyl-N-(oxomethylidene)benzenesulfonamide
- Lokaler Name
- p-Toluolsulfonylisocyanat
- Englischer Name
- p-Toluenesulfonyl Isocyanate
- Summenformel
- C8H7NO3S
- Molmasse
- 197.21
Namen und Synonyme
Tosyl isocyanatep-Toluenesulfonyl isocyanate4083-64-1p-Toluenesulphonyl isocyanate4-Methylbenzenesulfonyl isocyanateBenzenesulfonyl isocyanate, 4-methyl-DTXSID1027558Additive tiH9004FJX6VDTXCID407558RefChem:1094233223-810-8
Weitere Namen anzeigen
4-TOLUENESULFONYL ISOCYANATEPtslMSI/PTSIPOLYLINK PTSIPARA-TOSYLISOCYANATETOSYL ISOCYANATE (PTSI)
4-methyl-N-(oxomethylidene)benzenesulfonamidePtSip-Tolylsulfonyl isocyanate4-methylbenzene-1-sulfonyl isocyanatep-toluenesulfonylisocyanatep-Toluenesulfonic acid, anhydride with isocyanic acidp-Tosyl isocyanatep-Methylphenylsulfonyl isocyanate
Datenbank-Bezeichner
- CAS
4083-64-1- PubChem CID
- 77703
- DTXSID
DTXSID1027558- ChEMBL
CHEMBL1879981- UNII
- H9004FJX6V
- EC Number
- 223-810-8
- Nikkaji
- J195C
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 2,7
- Polarare Oberfläche (TPSA)
- 72 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 303
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)
SpringerMaterials PropertiesX-ray diffraction
Physical Description
Liquid
Colorless liquid with an irritating odor; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 5 °C · 5°C
- Siedepunkt
- 144 °C10 · 144 °C10 mm Hg(lit.)
- Dichte
- 1.291 g/mL · 1.291 g/mL at 25 °C(lit.)
- Dampfdruck
- 1 mm · 1 mm Hg ( 100 °C)
- Brechungsindex
- 20 · n20/D 1.534(lit.)
- Flammpunkt
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- Aggregatzustand
- Liquid
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
This chemical does not meet GHS hazard criteria for 0.3% (2 of 668) of reports.
Danger
H315 (99.7%): Causes skin irritation [Warning Skin corrosion/irritation]
Gefahrenhinweise
Regulatory Information
Chemical: Benzenesulfonyl isocyanate, 4-methyl-
Hazard Traits - Respiratory Toxicity
Benzenesulfonyl isocyanate, 4-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzenesulfonyl isocyanate, 4-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 02-06-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/10026
4-Toluenesulphonyl isocyanate: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationIMAP assessments - Isocyanates: Human health tier II assessment
Hazards Summary
A mild skin and moderate eye irritant; Causes changes in leukocyte count and changes in liver and kidney weights in 42-day constant oral studies of rats; [RTECS] Highly reactive; Hydrolyses rapidly forming p-toluenesulfonamide (CAS# 70-55-3) and carbon dioxide; [EPA ChAMP: Submission] Reacts violently with water; A skin and strong eye irritant; May cause respiratory sensitization; [Alfa Aesar MSDS] Search for (4083-64-1[EC/RN Number]) AND (asthma OR dermatitis OR allergic OR sensitizer OR sensitization): no results; [PubMed] See p-Toluenesulfonamide.
Chemie und Industrie
Verwendung und Herstellung
Uses
Used in polyurethane coatings, sealants, and adhesives, as a stabilizer for organic isocyanates, and as a chemical intermediate; [EPA ChAMP: Submission] Used to formulate adhesives-sealants and paints-coatings-thinners and as an intermediate for pharmaceuticals; [ExPub: ECHA REACH Registrations]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 1,000,000 - <2,500,000 lb
Consumer UsesDehydrating agent (desiccant)
Industry UsesAdhesion/cohesion promoter
General Manufacturing Information
Paint and Coating Manufacturing
Benzenesulfonyl isocyanate, 4-methyl-: ACTIVE
Anwendungen
Verwendenp-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
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