3,4-Dichlorobenzenethiol

Name: 3,4-Dichlorobenzenethiol
SKU: ACM5858173
Rating: 5 (1 reviews)

CAS

5858-17-3

Catalog Number

ACM5858173

Category

Other Products

Molecular Weight

179.07

Molecular Formula

C₆H₄Cl₂S

COA MSDS SDS Spec Sheet

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Specification

Synonyms

3,4-Dichlorobenzenethiol, 3,4-Dichlorothiophenol, 3,4-Dichloro thiophenol, 144266_ALDRICH, EINECS 227-485-3, CID79964, TL8006739, 5858-17-3

IUPAC Name

3,4-dichlorobenzenethiol

SMILES

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

InChI Key

HNJZDPKMMZXSKT-UHFFFAOYSA-N

Boiling Point

119-120ºC (10 mmHg)

Flash Point

113ºC

Density

1.407

Appearance

Colorless Liquid

EC Number

227-485-3

Exact Mass

177.94100

Hazard Statements

Xi:Irritant;

H-Bond Acceptor

H-Bond Donor

Packing Group

Safety Description

S26-S37/39

WGK Germany

Upstream Synthesis Route 1

98-31-7

5858-17-3

Reference: [1] Bulletin of the Chemical Society of Japan, 1979, vol. 52, # 11, p. 3434 - 3437
[2] Phosphorus and Sulfur and the Related Elements, 1983, vol. 17, p. 297 - 306

Upstream Synthesis Route 2

13443-69-1

5858-17-3

Reference: [1] Biochemical Journal, 1955, vol. 59, p. 410,411

Upstream Synthesis Route 3

95-76-1

5858-17-3

Reference: [1] Chem.Abstr., 1968, vol. 69, # 18840,
[2] Canadian Journal of Chemistry, 1985, vol. 63, p. 2471 - 2475

Downstream Synthesis Route 1

5858-17-3

4235-78-3

Reference: [1]Letters in Organic Chemistry,2010,vol. 7,p. 415 - 419
[2]Journal of Organic Chemistry,2019,vol. 84,p. 13073 - 13091
[3]Biochemical Journal,1955,vol. 59,p. 410,411
[4]Journal of the American Chemical Society,1980,vol. 102,p. 7059 - 7065