2,5-Dichlorobenzenethiol

Basic Information

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CAS Number

5858-18-4

Molecular Formula

C6H4Cl2S

Molecular Weight

179.07 g/mol

Chemical Classification

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

22-25°C

Boiling Point

112-116 °C/50 mmHg

Refractive Index

1.62

SMILES

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C1=CC(=C(C=C1Cl)S)Cl

InChI

InChI=1S/C6H4Cl2S/c7-4-1-2-5(8)6(9)3-4/h1-3,9H

InChIKey

QIULLHZMZMGGFH-UHFFFAOYSA-N

LogP

3.2821000000000007

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

97.1

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Class STENCH Class STENCH

Sensitiveness

Stench

Synonyms & References

English

W-105379
NS00033968
EINECS 227-486-9
Z56941088
DTXSID6064034
NSC49350
2,5-Dichloro thiophenol
MFCD00004831
NSC 49350
AKOS001387664
2,5-Dichlorobenzenethiol
H11785
2,5-Dichlorobenzenethiol, 98%
Thiophenol,5-dichloro-
Benzenethiol, 2,5-dichloro-
Thiophenol, 2,5-dichloro-
NSC-49350
5858-18-4
2,5-dichlorobenzene-1-thiol
EN300-06101
2,5-Dichlorothiophenol
D1145
PS-8553
FT-0610337
AC-10696
Benzenethiol,5-dichloro-
SCHEMBL691334
2,5-dichloro-thiophenol
2,5-Dichlorobenzenthiol
2,5-DICHLOROBENZENE-1-THIOL
2,5-dichloro thiophenol

MDL Number

MFCD00004831

Customs Code

2930909090

FAQ

What regulatory guidelines apply to 2,5-Dichlorobenzenethiol (CAS: 5858-18-4)?

2,5-Dichlorobenzenethiol (CAS: 5858-18-4) is classified under GHS as a skin and eye irritant. It is regulated under REACH in the EU, requiring registration for quantities above 1 tonne per year. FDA and EPA have specific guidelines for its handling and disposal due to its potential health and environmental hazards.

Are there alternatives to 2,5-Dichlorobenzenethiol (CAS: 5858-18-4) in synthesis?

Synthetic alternatives to 2,5-Dichlorobenzenethiol include 2-Chlorobenzenethiol and 5-Chlorobenzenethiol, which can be used as precursors in similar reactions. Other substitutes like 2,5-Dichlorobenzenesulfonic acid may also be considered depending on the specific application.

What is the market or research trend for 2,5-Dichlorobenzenethiol (CAS: 5858-18-4)?

The market for 2,5-Dichlorobenzenethiol (CAS: 5858-18-4) is driven by its applications in dye intermediates and organic synthesis. Recent research trends focus on developing safer and more efficient synthesis methods, and exploring its use in advanced materials and pharmaceuticals.

How should waste containing 2,5-Dichlorobenzenethiol (CAS: 5858-18-4) be handled?

Waste containing 2,5-Dichlorobenzenethiol (CAS: 5858-18-4) should be collected in appropriate containers, labeled, and stored in a well-ventilated area. It should be disposed of through professional waste disposal services, ensuring compliance with local and national regulations. Incineration is a common method, but it must be done under controlled conditions to prevent environmental contamination.