2,4,6-Trichloro-5-methylpyrimidine

Basic Information

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CAS Number

1780-36-5

Molecular Formula

C5H3Cl3N2

Molecular Weight

197.45 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

65-69 °C

Boiling Point

233.8 °C at 760 mmHg

Density

1.542

Flash Point

117.7℃

Refractive Index

1.502

SMILES

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CC1=C(N=C(N=C1Cl)Cl)Cl

InChI

InChI=1S/C5H3Cl3N2/c1-2-3(6)9-5(8)10-4(2)7/h1H3

InChIKey

VTSWSQGDJQFXHB-UHFFFAOYSA-N

LogP

2.7452200000000007

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

110

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

Hazard Class

Class 8 Class 8

Synonyms & References

English

AMY11527
Pyrimidine,4,6-trichloro-5-methyl-
2,4,6-Trichloro-5-methylpyrimidine
2,4,6-Trichloro-5-
FT-0609846
1780-36-5
2,4,6-Trichloro-5-methylpyrimidine, 97%
NCI60_002626
5-Methyl-2,4,6-trichloropyrimidine
Z1255379365
NSC-30722
CHEMBL2001844
W-206252
MFCD00233525
EN300-155503
Pyrimidine, 2,4,6-trichloro-5-methyl-
methyl 2,4,6-trichloropyrimidine
Pyrimidine,2,4,6-trichloro-5-methyl-
NSC30722
AKOS000285087
2,6-Trichloro-5-methylpyrimidine
CS-W002538
SCHEMBL812036
VTSWSQGDJQFXHB-UHFFFAOYSA-N
SY016045
AC-2386
A26856
methylpyrimidine
DTXSID70283267
SB57238
GS-6496

MDL Number

MFCD00233525

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2,4,6-Trichloro-5-methylpyrimidine (CAS: 1780-36-5)?

2,4,6-Trichloro-5-methylpyrimidine (CAS: 1780-36-5) is a crystalline solid with a molecular weight of approximately 218.04 g/mol. It has a low solubility in water but is more soluble in organic solvents. This compound is relatively unreactive under normal conditions but can undergo nucleophilic substitution reactions. It is commonly used in the pharmaceutical and agricultural industries due to its chemical stability and reactivity.

How is 2,4,6-Trichloro-5-methylpyrimidine (CAS: 1780-36-5) typically synthesized?

2,4,6-Trichloro-5-methylpyrimidine (CAS: 1780-36-5) is typically synthesized through the reaction of 5-chlorocarbonylpyrimidine with methyl chloride in the presence of a strong base such as sodium hydride. This method provides high selectivity and yield, making it a preferred route for industrial production.

What industries use 2,4,6-Trichloro-5-methylpyrimidine (CAS: 1780-36-5)?

2,4,6-Trichloro-5-methylpyrimidine (CAS: 1780-36-5) is widely used in the pharmaceutical industry for the synthesis of antifungal drugs. It is also applied in the agricultural sector as a herbicide component. Additionally, it has potential applications in the polymer industry for the development of new materials with specific properties.

What precautions should be taken when handling 2,4,6-Trichloro-5-methylpyrimidine (CAS: 1780-36-5)?

When handling 2,4,6-Trichloro-5-methylpyrimidine (CAS: 1780-36-5), it is essential to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. Work should be carried out in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed. Always consult the safety data sheet (SDS) for detailed information and guidelines.