4-Chlorobenzenesulfonyl isocyanate

Basic Information

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CAS Number

5769-15-3

Molecular Formula

C7H4ClNO3S

Molecular Weight

217.63 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

121 °C/0.5 mmHg

Refractive Index

n20/D 1.558(lit.)

SMILES

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C1=CC(=CC=C1S(=O)(=O)N=C=O)Cl

InChI

InChI=1S/C7H4ClNO3S/c8-6-1-3-7(4-2-6)13(11,12)9-5-10/h1-4H

InChIKey

JGHDVROWMPBQSR-UHFFFAOYSA-N

LogP

1.3645

Topological Polar Surface Area

63.57 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

307

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

4-chloro-N-(oxomethylidene)benzenesulfonamide
4-chlorobenzene sulfonylisocyanate
A8217
5769-15-3
4-Chlorobenzenesulfonyl isocyanate, 97%
p-chlorophenylsulfonylisocyanate
p-chlorobenzenesulfonylisocyanate
W-200442
4-chlorbenzenesulfonyl isocyanate
SCHEMBL1125078
(p-chlorophenyl)-sulphonyl isocyanate
MFCD00009978
BCP22067
GEO-00652
BP-10692
4-Chlorobenzenesulfonylisocyanate
p-Chlorobenzenesulfonyl isocyanate
DTXSID60206389
4-Chloro-benzensulfonyl Isocyanate
4-chlorobenzensulfonyl isocyanate
4-Chlorobenzenesulfonyl isocyanate, technical grade, 85%
4-Chlorobenzenesulfonyl isocyanate
FT-0618176
p-chlorophenylsulfonyl isocyanate
AKOS005254413
Benzenesulfonicacid, p-chloro-, anhydride with isocyanic acid (7CI,8CI)
Benzenesulfonylisocyanate, 4-chloro- (9CI)
Isocyanic acid, anhydride withp-chlorobenzenesulfonic acid (8CI)
(p-Chlorophenyl)sulfonyl isocyanate
4-Chlorophenylsulfonyl isocyanate

MDL Number

MFCD00009978

Customs Code

2929109000

FAQ

What are the physical and chemical properties of 4-Chlorobenzenesulfonyl isocyanate (CAS: 5769-15-3)?

4-Chlorobenzenesulfonyl isocyanate is a white crystalline solid with a molecular weight of approximately 232.6 g/mol. It is slightly soluble in water but soluble in organic solvents such as methanol and acetone. This compound is highly reactive, featuring a sulfonyl chloride and an isocyanate group, making it suitable for a variety of chemical reactions.

How is 4-Chlorobenzenesulfonyl isocyanate (CAS: 5769-15-3) typically synthesized?

4-Chlorobenzenesulfonyl isocyanate is typically synthesized via the reaction of 4-chlorobenzenesulfonyl chloride with phosgene. This process is conducted under anhydrous conditions using a suitable solvent such as toluene. The reaction is known to be highly effective and selective, yielding the target compound with a good yield.

What industries use 4-Chlorobenzenesulfonyl isocyanate (CAS: 5769-15-3)?

4-Chlorobenzenesulfonyl isocyanate finds applications in pharmaceuticals, where it is used as a precursor for the synthesis of certain drugs. It is also utilized in the production of polymers, sensors, and semiconductors due to its reactivity with a variety of functional groups.

What precautions should be taken when handling 4-Chlorobenzenesulfonyl isocyanate (CAS: 5769-15-3)?

When handling 4-Chlorobenzenesulfonyl isocyanate, safety measures should include the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be handled in a fume hood to minimize exposure. In case of spill, the area should be carefully cleaned up using appropriate absorbents, and the incident should be reported to the appropriate authorities. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.