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| CAS No.: | 4083-64-1 |
|---|---|
| Name: | Tosyl isocyanate |
| Article Data: | 28 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C8H7NO3S |
| Molecular Weight: | 197.214 |
| Synonyms: | p-Toluenesulfonic acid,anhydride with isocyanic acid (7CI,8CI);4-Methylbenzenesulfonyl isocyanate;4-Methylphenylsulfonyl isocyanate;4-Toluenesulfonyl isocyanate;Additive TI;PTSI;p-Toluene sulphonyl isocyanate;p-Methylbenzenesulfonyl isocyanate;p-Methylphenylsulfonyl isocyanate;p-Toluenesulfonyl isocyanate;p-Tosyl isocyanate; |
| EINECS: | 223-810-8 |
| Density: | 1.27 g/cm3 |
| Melting Point: | 5°C |
| Boiling Point: | 288.8 °C at 760 mmHg |
| Flash Point: | 128.5 °C |
| Solubility: | reacts with water |
| Appearance: | clear liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 14-36/37/38-42 |
| Safety: | 26-28-30-28A |
| Transport Information: | UN 2206 6.1/PG 3 |
| PSA: | 71.95000 |
| LogP: | 2.10030 |
- 408367-99-7[1,1'-Biphenyl]-2-carboxylicacid, 3'-(trifluoromethyl)-
- 40836-94-02-methyl-sulphanyl-4,5-dihydrothiazoline hydroiodide
- 4084-27-9D-erythro-Hexos-2-ulose,3-deoxy-
- 40843-25-2Propanoic acid,2-[4-(2,4-dichlorophenoxy)phenoxy]-
- 40843-28-5Propanoic acid,2-[4-(4-methylphenoxy)phenoxy]-
- 40843-35-4Propanoic acid,2-[4-(2-chlorophenoxy)phenoxy]-
- 40843-52-5Phenol,4-(4-chloro-3-methylphenoxy)-
- 40843-73-0Phenol,4-(2,4-dichlorophenoxy)-
- 4084-38-2Benzenemethanol,2,3,5,6-tetrafluoro-
- 40846-66-0Butanoic acid,2-isocyano-3-methyl-, methyl ester
- 4083-64-1
Tosyl isocyanate
| Conditions | Yield |
|---|---|
| In toluene at 140℃; for 2h; Glovebox; | 84% |
- 941-55-9
4-toluenesulfonyl azide
- 201230-82-2
carbon monoxide
A
- 4083-64-1
Tosyl isocyanate
B
- 70-55-3
toluene-4-sulfonamide
| Conditions | Yield |
|---|---|
| With palladium diacetate In acetonitrile at 40℃; for 4h; Schlenk technique; | A 25% B 75% |
| Stage #1: 4-toluenesulfonyl azide; carbon monoxide With palladium diacetate In acetonitrile at 80℃; for 4h; Stage #2: With water | A 23 %Chromat. B 77 %Chromat. |
- 201230-82-2
carbon monoxide
- 55962-05-5
[N-(p-tolylsulfonyl)imino]phenyliodinane
- 4083-64-1
Tosyl isocyanate
| Conditions | Yield |
|---|---|
| bis(benzonitrile)palladium(II) dichloride In dichloromethane; acetonitrile under 28502.3 Torr; for 0.666667h; Ambient temperature; | 60% |
| Conditions | Yield |
|---|---|
| With 1,2,3-trichlorobenzene | |
| In 5,5-dimethyl-1,3-cyclohexadiene at 100℃; for 2h; Time; Temperature; Solvent; Inert atmosphere; |
- 101386-15-6
p-toluenesulphonyloxamoyl chloride
- 4083-64-1
Tosyl isocyanate
| Conditions | Yield |
|---|---|
| With 1,2-dichloro-benzene Heating; |
| Conditions | Yield |
|---|---|
| In dichloromethane at 20℃; for 15h; | |
| In dichloromethane at 20℃; for 10h; |
- 1189-71-5
isocyanate de chlorosulfonyle
- 70841-00-8
dibutyl di(p-methylphenyl)tin
- 4083-64-1
Tosyl isocyanate
| Conditions | Yield |
|---|---|
| at 40℃; for 10h; |
| Conditions | Yield |
|---|---|
| bis(benzonitrile)palladium(II) dichloride In dichloromethane; acetonitrile at 20℃; under 30002.4 Torr; Yield given; |
| Conditions | Yield |
|---|---|
| tris-(dibenzylideneacetone)dipalladium(0) In dichloromethane at 55℃; under 30002.4 Torr; Yield given; |
- 201230-82-2
carbon monoxide
- 52867-19-3
diphenyl-N-(p-toluenesulfonyl)selenimide
- 4083-64-1
Tosyl isocyanate
| Conditions | Yield |
|---|---|
| With bis(benzonitrile)palladium(II) dichloride; benzonitrile In dichloromethane under 26252.1 Torr; r.t., 30 min then 50 deg C, 2.5 h; |
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Chemistry
IUPAC Name: 4-Methyl-N-(oxomethylidene)benzenesulfonamide
Synonyms of p-Toluene sulphonyl isocyanate (CAS NO.4083-64-1): EINECS 223-810-8 ; Benzenesulfonyl isocyanate, 4-methyl- ; p-Toluenesulphonyl isocyanate ; p-Toluenesulfonic acid, anhydride with isocyanic acid
CAS NO: 4083-64-1
Molecular Formula: C8H7NO3S
Molecular Weight: 197.2111
Molecular Structure:
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Melting Point: 5°C
Product Categories: Benzene derivatives ; Benzene derivates ; Sulfur Compounds (for Synthesis) ; Synthetic Organic Chemistry
Polar Surface Area: 71.95 Å2
Index of Refraction: 1.566
Molar Refractivity: 50.33 cm3
Molar Volume: 154.2 cm3
Surface Tension: 48.7 dyne/cm
Density: 1.27 g/cm3
Flash Point: 128.5 °C
Enthalpy of Vaporization: 50.69 kJ/mol
Boiling Point: 288.8 °C at 760 mmHg
Vapour Pressure: 0.00396 mmHg at 25°C
Uses
p-Toluene sulphonyl isocyanate (CAS NO.4083-64-1) is used as a water scavenger in urethane products. End application include adhesives, coatings and sealants. It is also used as an intermediate in organic synthesis.
Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LC50 | inhalation | > 640ppm/1H (640ppm) | SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE LUNGS, THORAX, OR RESPIRATION: DYSPNEA | International Journal of Toxicology. Vol. 19, Pg. 368, 2000. |
| rat | LD50 | intraperitoneal | 775mg/kg (775mg/kg) | BEHAVIORAL: GENERAL ANESTHETIC | International Journal of Toxicology. Vol. 19, Pg. 368, 2000. |
| rat | LD50 | oral | 2234mg/kg (2234mg/kg) | GASTROINTESTINAL: OTHER CHANGES | International Journal of Toxicology. Vol. 19, Pg. 368, 2000. |
Safety Profile
The Hazard Codes of p-Toluene sulphonyl isocyanate (CAS NO.4083-64-1): 
Xn
The Risk Statements information:
14: Reacts violently with water
42: May cause sensitization by inhalation
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
28: After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer)
30: Never add water to this product
RIDADR: UN 2206 6.1/PG 3
WGK Germany: 1
RTECS: DB9032000
F: 10
HazardClass: 6.1
PackingGroup: III
Moderately toxic by ingestion and intraperitoneal routes. Low toxicity by inhalation. A mild skin and moderate eye irritant. When heated to decomposition it emits toxic vapors of NOx and SOx.
Standards and Recommendations
APPEARANCE: clear liquid
Assay (GC): 98.0% min
SUM IMPURITY: 2.0% max
Specification
PACKING: 200kgs in drum
HAZARD CLASS: 6.1 (Packing Group: II)
UN NO.: 2206