ChemicalBook--->CAS DataBase List--->2845-62-7

2845-62-7

2845-62-7 Structure

2845-62-7 Structure
IdentificationMore
[Name]

BENZENESULFONYL ISOCYANATE
[CAS]

2845-62-7
[Synonyms]

BENZENESULFONYL ISOCYANATE
BENZENESULPHONYL ISOCYANATE
phenylsulphonyl isocyanate
Benzenesulfonyl isocyanate, 98+%
Phenylsulfonyl isocyanate.
(Isocyanatosulfonyl)benzene
Isocyanatosulfonylbenzene
[EINECS(EC#)]

220-640-6
[Molecular Formula]

C7H5NO3S
[MDL Number]

MFCD00007546
[Molecular Weight]

183.18
[MOL File]

2845-62-7.mol
Chemical PropertiesBack Directory
[Appearance]

CLEAR COLOURLESS LIQUID
[Boiling point ]

130 °C9 mm Hg(lit.)
[density ]

1.369 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.536(lit.)
[Fp ]

>230 °F
[storage temp. ]

Refrigerator (+4°C)
[solubility ]

sol chlorinated, aromatic, and ethereal solvents; reacts violently with H2O, basic and protic solvents.
[form ]

clear liquid
[color ]

Colorless to Almost colorless
[Sensitive ]

Moisture Sensitive
[BRN ]

743441
[InChI]

1S/C7H5NO3S/c9-6-8-12(10,11)7-4-2-1-3-5-7/h1-5H
[InChIKey]

UJYAZVSPFMJCLW-UHFFFAOYSA-N
[SMILES]

O=C=NS(=O)(=O)c1ccccc1
[CAS DataBase Reference]

2845-62-7(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/22:Harmful by inhalation and if swallowed .
R36/38:Irritating to eyes and skin .
R42:May cause sensitization by inhalation.
[Safety Statements ]

S23:Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer) .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 2922 8/PG 1
[WGK Germany ]

3
[F ]

10-19-21
[HazardClass ]

6.1
[PackingGroup ]

II
[HS Code ]

29291000
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Acute Tox. 4 Inhalation
Acute Tox. 4 Oral
Eye Irrit. 2
Resp. Sens. 1
Skin Irrit. 2
Skin Sens. 1
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

Tribenuron methyl-->Primisulfuron-methyl-->Ethametsulfuron-methyl
Hazard InformationBack Directory
[Chemical Properties]

CLEAR COLOURLESS LIQUID
[Uses]

Benzenesulfonyl isocyanate was used in synthesis of sterically hindered derivatives of phenols and alcohols. It was also used in the reaction of semi crystalline poly(ether ether ketone) films with carbonyl selective reagents to produce modified film samples.
[General Description]

Benzenesulfonyl isocyanate reacts with ethanol and phenol to yield normal urethan products.
[Reactivity Profile]

Benzenesulfonyl Isocyanate is a derivatizing agent for alcohols and phenols; used to convert (thio)carbonyl compounds to imino derivatives; used in the preparation of β-lactams and a wide variety of heterocycles via cycloaddition reactions.
[Precautions]

lachrymator; corrosive; use only in a fume hood; wear protective gloves and preferably a NIOSH-approved respirator. All transfers and reactions should be carried out under anhydrous conditions. Store in a cool dry place, taking care to avoid contamination with protic, basic, or organometallic materials, as these may induce polymerization.
Spectrum DetailBack Directory
[Spectrum Detail]

BENZENESULFONYL ISOCYANATE(2845-62-7)MS
BENZENESULFONYL ISOCYANATE(2845-62-7)1HNMR
BENZENESULFONYL ISOCYANATE(2845-62-7)IR1
BENZENESULFONYL ISOCYANATE(2845-62-7)IR2
BENZENESULFONYL ISOCYANATE(2845-62-7)IR3
BENZENESULFONYL ISOCYANATE(2845-62-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Benzenesulfonyl isocyanate, 95%(2845-62-7)
[Alfa Aesar]

Benzenesulfonyl isocyanate, 95%(2845-62-7)
[Sigma Aldrich]

2845-62-7(sigmaaldrich)
[TCI AMERICA]

Benzenesulfonyl Isocyanate,>95.0%(T)(2845-62-7)
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