2,4-Dichloro-5-(methylsulfanyl)pyrimidine

Basic Information

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CAS Number

7401-98-1

Molecular Formula

C5H4Cl2N2S

Molecular Weight

195.07 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

282.7°C at 760 mmHg

Density

1.51

Flash Point

124.8°C

Refractive Index

1.611

SMILES

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CSC1=CN=C(N=C1Cl)Cl

InChI

InChI=1S/C5H4Cl2N2S/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3

InChIKey

PQLHCTKAQZYUMI-UHFFFAOYSA-N

LogP

2.505300000000001

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

114

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

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

Synonyms & References

English

NSC-54668
DS-7669
PQLHCTKAQZYUMI-UHFFFAOYSA-N
NSC54668
P13091
MFCD22199809
2,4-dichloro-5-(methylsulfanyl)pyrimidine
2,4-dichloro-5-methylsulfanylpyrimidine
SY029041
Pyrimidine, 2,4-dichloro-5-(methylthio)-
AMY9230
7401-98-1
2,4-dichloro-5-(methylthio)pyrimidine
AKOS015851190
CS-0045705
DTXSID70288196
SB57559
SCHEMBL1917685
2,4-Dichloro-5-methylsulfanyl-pyrimidine
2,4-DICHLORO-5-(METHYLSULFANYL)PYRIMIDINE
2,4-Dichloro-5-(methylthio)pyrimidine
2,4-dichloro-5-methylsulphanyl-pyrimidine
2,4-dicloro-5-metiltiopirimidina
AK172001
FCH2302094

MDL Number

MFCD22199809

FAQ

What regulatory guidelines apply to 2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS: 7401-98-1)?

2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS: 7401-98-1) is regulated under various guidelines such as GHS (Global Harmonized System of Classification and Labelling of Chemicals) for hazard communication, REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the EU for chemical registration and safety assessment, and FDA/EPA regulations for toxicological and environmental safety. Manufacturers and importers must ensure compliance with these regulations for product labeling, safety data sheets, and environmental management.

Are there alternatives to 2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS: 7401-98-1) in synthesis?

There are several alternatives to 2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS: 7401-98-1) in synthesis, including other pyrimidine derivatives with different substituents, such as 2,4-Dichloropyrimidine (CAS: 524-81-2) or 5-Methylsulfinylpyrimidine (CAS: 632-17-7). These alternatives can offer similar or improved properties depending on the specific application, and may include reagents like methyl sulfone, chlorosulfonic acid, or other chlorinating agents to achieve desired functionalities.

What is the market or research trend for 2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS: 7401-98-1)?

The market for 2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS: 7401-98-1) is characterized by steady growth driven by its applications in pharmaceuticals, pesticides, and agrochemicals. Research trends focus on its potential in targeted drug delivery systems and as a herbicide. Recent studies also explore its use in biocatalysis and synthetic biology, indicating a promising future in both industrial and academic sectors.

How should waste containing 2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS: 7401-98-1) be handled?

Waste containing 2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS: 7401-98-1) should be handled according to local and international hazardous waste regulations. Collection should be done in appropriate containers, labeled with the chemical name and CAS number. Incineration is a common disposal method, but ensure it meets the required environmental standards. Alternatively, professional waste disposal services can be used for safe and compliant disposal. Always follow safety protocols to prevent environmental contamination and ensure worker safety.