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Structure

3,4-Dichlorobenzenethiol

CAS
5858-17-3
Catalog Number
ACM5858173
Category
Other Products
Molecular Weight
179.07
Molecular Formula
C6H4Cl2S

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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
Canonical 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
0
H-Bond Donor
0
Packing Group
II
Safety Description
S26-S37/39
WGK Germany
3

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

Downstream Synthesis Route 2

  • 3034-57-9
  • 5858-17-3
  • 17114-57-7

Reference: [1]Canadian Journal of Chemistry,1967,vol. 45,p. 1807 - 1811

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

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