ChemicalBook--->CAS DataBase List--->4083-64-1

4083-64-1

4083-64-1 Structure

4083-64-1 Structure
IdentificationMore
[Name]

Tosyl isocyanate
[CAS]

4083-64-1
[Synonyms]

4-METHYLBENZENE-1-SULFONYL ISOCYANATE
4-TOLUENESULFONYL ISOCYANATE
P-TOLUENESULFONYL ISOCYANATE
P-TOLUENESULPHONYL ISOCYANATE
PTSI
TOLUENE-4-SULFONYL ISOCYANATE
TOSYL ISOCYANATE
4-Isocyanatosulphonyltoluene,
4-methyl-benzenesulfonylisocyanat
4-methyl-Benzenesulfonylisocyanate
4-Methylphenylsulfonyl isocyanate
Benzenesulfonyl isocyanate, 4-methyl-
Benzenesulfonylisocyanate,4-methyl-
p-Methylphenylsulfonyl isocyanate
p-Toluenesulfonic acid, anhydride with isocyanic acid
p-Toluensulfonyl isocyanate
p-Tolylsulfonyl isocyanate
p-Tosyl isocyanate
Sulfone, isocyanato tolyl
P-toluenesulfony6l isocyanate
[EINECS(EC#)]

223-810-8
[Molecular Formula]

C8H7NO3S
[MDL Number]

MFCD00002030
[Molecular Weight]

197.21
[MOL File]

4083-64-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear liquid
[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.)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,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 DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R14:Reacts violently with water.
R36/37/38:Irritating to eyes, respiratory system and skin .
R42:May cause sensitization by inhalation.
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S28:After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer) .
S30:Never add water to this product .
[RIDADR ]

UN 2206 6.1/PG 3
[WGK Germany ]

1
[RTECS ]

DB9032000
[F ]

10
[TSCA ]

Yes
[HazardClass ]

6.1
[PackingGroup ]

III
[HS Code ]

29309090
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Tosyl isocyanate(4083-64-1).msds
Hazard InformationBack Directory
[Hazard]

Moderately toxic by ingestion. Low toxicity by inhalation. A mild skin and moderate eye irritant.
[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
[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.
[Synthesis]

Add the organic 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??C for 4 h under CO atmosphere (balloon). Concentrate the mixture under reduced pressure. Purify the residue by column chromatography (petroleum ether/EtOAc 3:1.-.1:1).
Synthesis_4083-64-1
Spectrum DetailBack Directory
[Spectrum Detail]

p-Toluenesulfonyl Isocyanate(4083-64-1)MS
p-Toluenesulfonyl Isocyanate(4083-64-1)1HNMR
p-Toluenesulfonyl Isocyanate(4083-64-1)13CNMR
p-Toluenesulfonyl Isocyanate(4083-64-1)IR1
p-Toluenesulfonyl Isocyanate(4083-64-1)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

p-Toluenesulfonyl isocyanate, 96%(4083-64-1)
[Alfa Aesar]

p-Toluenesulfonyl isocyanate, 95%(4083-64-1)
[Sigma Aldrich]

4083-64-1(sigmaaldrich)
[TCI AMERICA]

p-Toluenesulfonyl Isocyanate,>95.0%(N)(4083-64-1)
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