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4083-64-1

Basic Information
CAS No.: 4083-64-1
Name: Isocyanicacid, anhydride with p-toluenesulfonic acid (6CI)
Article Data: 28
Cas Database
Molecular Structure:
Molecular Structure of 4083-64-1 (Isocyanicacid, anhydride with p-toluenesulfonic acid (6CI))
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: HarmfulXn
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
Synthetic route

p-toluenesulfonylcarbamyl fluoride

4083-64-1

Tosyl isocyanate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
bis(benzonitrile)palladium(II) dichloride In dichloromethane; acetonitrile under 28502.3 Torr; for 0.666667h; Ambient temperature;60%
75-44-5

phosgene

70-55-3

toluene-4-sulfonamide

4083-64-1

Tosyl isocyanate

Conditions
ConditionsYield
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
ConditionsYield
With 1,2-dichloro-benzene Heating;
1189-71-5

isocyanate de chlorosulfonyle

937-12-2

4-tolyltrimethylstannane

4083-64-1

Tosyl isocyanate

Conditions
ConditionsYield
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
ConditionsYield
at 40℃; for 10h;
201230-82-2

carbon monoxide

127-65-1

chloroamine-T

4083-64-1

Tosyl isocyanate

Conditions
ConditionsYield
bis(benzonitrile)palladium(II) dichloride In dichloromethane; acetonitrile at 20℃; under 30002.4 Torr; Yield given;
201230-82-2

carbon monoxide

125069-32-1

C7H7ClNO2S(1-)*K(1+)

4083-64-1

Tosyl isocyanate

Conditions
ConditionsYield
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
ConditionsYield
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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    4083-64-1

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  • 4083-64-1  Isocyanicacid, anhydride with p-toluenesulfonic acid (6CI)

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    MSDS/COA Download

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    4083-64-1

    Isocyanicacid, anhydride with p-toluenesulfonic acid (6CI)

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    MSDS/COA Download

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    ProName: 4-Isocyanatosulphonyltoluene CasNo: 4083-64-1 Molecular Formula: C8H7NO3S Appearance: Colorless oily liquid Application: Pharmaceutical Intermediates DeliveryTime: within 7 days after payment PackAge: as your req

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  • P-Toluenesulfonyl Isocyanate (PTSI)

  • Casno:

    4083-64-1

    P-Toluenesulfonyl Isocyanate (PTSI)

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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:

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