4-Chlorobenzenesulfonic acid

CAS

98-66-8

Catalog Number

ACM98668

Category

Other Products

Molecular Weight

192.62

Molecular Formula

C₆H₅O₃ClS

MSDS COA Spec Sheet

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What is the molecular formula of 4-Chlorobenzenesulfonic acid?

The molecular formula of 4-Chlorobenzenesulfonic acid is C6H5ClO3S.

What is the molecular weight of 4-Chlorobenzenesulfonic acid?

The molecular weight of 4-Chlorobenzenesulfonic acid is 192.62 g/mol.

What is the IUPAC name of 4-Chlorobenzenesulfonic acid?

The IUPAC name of 4-Chlorobenzenesulfonic acid is 4-chlorobenzenesulfonic acid.

What is the InChI key of 4-Chlorobenzenesulfonic acid?

The InChI key of 4-Chlorobenzenesulfonic acid is RJWBTWIBUIGANW-UHFFFAOYSA-N.

What is the canonical SMILES of 4-Chlorobenzenesulfonic acid?

The canonical SMILES of 4-Chlorobenzenesulfonic acid is C1=CC(=CC=C1S(=O)(=O)O)Cl.

What is the CAS number of 4-Chlorobenzenesulfonic acid?

The CAS number of 4-Chlorobenzenesulfonic acid is 98-66-8.

What is the XLogP3 value of 4-Chlorobenzenesulfonic acid?

The XLogP3 value of 4-Chlorobenzenesulfonic acid is 0.6.

How many hydrogen bond donor counts does 4-Chlorobenzenesulfonic acid have?

4-Chlorobenzenesulfonic acid has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 4-Chlorobenzenesulfonic acid have?

4-Chlorobenzenesulfonic acid has 3 hydrogen bond acceptor counts.

How many rotatable bond counts does 4-Chlorobenzenesulfonic acid have?

4-Chlorobenzenesulfonic acid has 1 rotatable bond count.

Upstream Synthesis Route 1

98-64-6

98-66-8

Reference: [1]Patent: WO2012/143279,2012,A1 .Location in patent: Page/Page column 14; 15
[2]Patent: WO2012/143281,2012,A1 .Location in patent: Page/Page column 19; 20
[3]Justus Liebigs Annalen der Chemie,1923,vol. 433,p. 342

Downstream Synthesis Route 1

7664-93-9
98-66-8

121-18-6
100-00-5

Reference: [1] Justus Liebigs Annalen der Chemie, 1867, vol. 143, p. 184
[2] Chemische Berichte, 1891, vol. 24, p. 3188

Downstream Synthesis Route 2

98-66-8

97-09-6

Reference: [1] Chemische Berichte, 1891, vol. 24, p. 3188

Downstream Synthesis Route 3

98-66-8

121-18-6

Reference: [1] Grundlegende Operationen der Farbenchemie, 5.Aufl. , S.101,103,118,
[2] Chemische Berichte, 1891, vol. 24, p. 3188

Downstream Synthesis Route 4

98-66-8

121-18-6

Reference: [1]Willson; Meyer,K.H.
[Chemische Berichte, 1914, vol. 47, p. 3163]
[2]Current Patent Assignee: Boehringer & Soehne - DE288116, 1800, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 159][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 159]
[3]Current Patent Assignee: Boehringer & Soehne - DE288116, 1800, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 159][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 159]
[4]Current Patent Assignee: Boehringer & Soehne - DE288116, 1800, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 159][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 159]
[5]Current Patent Assignee: Boehringer & Soehne - DE288116, 1800, C
[Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 159][Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 12, p. 159]

* For details of the synthesis route, please refer to the original source to ensure accuracy.