Cas no 71103-41-8 (2,6-dichlorobenzene-1-sulfonyl isocyanate)

2,6-Dichlorobenzene-1-sulfonyl isocyanate is a highly reactive organosulfur compound primarily used as a versatile intermediate in organic synthesis. Its key advantages include its ability to act as a sulfonylating and isocyanating agent, enabling the introduction of both functional groups into target molecules. The dichloro-substituted aromatic ring enhances electrophilicity, facilitating efficient reactions with nucleophiles such as amines and alcohols. This compound is particularly valuable in the preparation of sulfonylurea derivatives and other pharmacologically active scaffolds. Its stability under controlled conditions and selective reactivity make it a preferred choice for fine chemical and pharmaceutical applications. Proper handling is essential due to its moisture sensitivity and potential irritancy.

2,6-dichlorobenzene-1-sulfonyl isocyanate structure

71103-41-8 structure

Product Name:2,6-dichlorobenzene-1-sulfonyl isocyanate

CAS No:71103-41-8

MF:C₇H₃Cl₂NO₃S

MW:252.074618577957

MDL:MFCD00152396

CID:546039

PubChem ID:12875189

Update Time:2025-05-28

2,6-dichlorobenzene-1-sulfonyl isocyanate Chemical and Physical Properties

Names and Identifiers

- Benzenesulfonyl isocyanate, 2,6-dichloro-
- 2,6-dichloro-N-(oxomethylidene)benzenesulfonamide
- 2,6-dichlorobenzene-1-sulfonyl isocyanate
- DTXSID10512124
- SCHEMBL7467990
- EN300-248108
- RHPCYVNTFRAYEO-UHFFFAOYSA-N
- 2,6-dichlorobenzenesulfonylisocyanate
- 2,6-dichlorobenzenesulphonylisocyanate
- 71103-41-8
- 2,6-dichlorobenzenesulfonyl isocyanate
- MDL： MFCD00152396
- Inchi： 1S/C7H3Cl2NO3S/c8-5-2-1-3-6(9)7(5)14(12,13)10-4-11/h1-3H
- InChI Key： RHPCYVNTFRAYEO-UHFFFAOYSA-N
- SMILES： ClC1C=CC=C(C=1S(N=C=O)(=O)=O)Cl

Computed Properties

Exact Mass: 250.92119
Monoisotopic Mass: 250.9210695g/mol
Isotope Atom Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 4
Heavy Atom Count: 14
Rotatable Bond Count: 2
Complexity: 334
Covalently-Bonded Unit Count: 1
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count : 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
XLogP3: 3.5
Topological Polar Surface Area: 72?2

Experimental Properties

PSA: 63.57

2,6-dichlorobenzene-1-sulfonyl isocyanate Pricemore >>

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