2,4-Dichloro-5-methylpyrimidine

Basic Information

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CAS Number

1780-31-0

Molecular Formula

C5H4Cl2N2

Molecular Weight

163.01 g/mol

EINECS

217-227-8

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

White to Yellow Solid

Melting Point

26-28 °C

Boiling Point

109°C/11mmHg

Density

1.39 g/mL at 25 °C

Solubility

Soluble in chloroform, ether, ethyl acetate and toluene

Refractive Index

1.6300 (estimate)

SMILES

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CC1=CN=C(N=C1Cl)Cl

InChI

InChI=1S/C5H4Cl2N2/c1-3-2-8-5(7)9-4(3)6/h2H,1H3

InChIKey

DQXNTSXKIUZJJS-UHFFFAOYSA-N

LogP

2.09182

pKa

-2.44±0.29(Predicted)

Topological Polar Surface Area

25.78 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Storage Conditions

Inert atmosphere,2-8°C

Sensitiveness

Lachrymatory

Synonyms & References

English

5-Methyl-2,4-dichloropyrimidine
NSC 37532
PS-3984
G2W3V2TE7S
Pyrimidine, 2,4-dichloro-5-methyl- pound>>5-Methyl-2,4-dichloropyrimidine
PB17064
A19574
2,4dichloro-5-methylpyrimidine
Q-102310
Pyrimidine, 2,4-dichloro-5-methyl-
CS-W002132
UNII-G2W3V2TE7S
NSC37532
EN300-97035
1780-31-0
2,4-Dichloro-5-methylpyrimidine
Pyrimidine,4-dichloro-5-methyl-
DQXNTSXKIUZJJS-UHFFFAOYSA-N
2,4,-dichloro-5-methylpyrimidine
2,4-dichloro-5-methyl pyrimidine
2, 4-Dichloro-5-methylpyrimidine
NSC-37532
AM20090055
pyrimidine, 2,4-dichloro-5-methyl
DTXSID9061962
2,4-dichloro-5-methylpyrimdine
MFCD00023197
SCHEMBL56192
AKOS005255373
BCP21042
2,4 dichloro5-methylpyrimidine

MDL Number

MFCD00023197

EC Number

217-227-8

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 2,4-Dichloro-5-methylpyrimidine (CAS: 1780-31-0)?

2,4-Dichloro-5-methylpyrimidine (CAS: 1780-31-0) is a crystalline solid with a molecular weight of approximately 203.03 g/mol. It has low water solubility and is moderately soluble in common organic solvents like ethanol and acetone. Chemically, it is relatively stable but can undergo nucleophilic substitution reactions. The compound is known for its aromatic characteristics and can form hydrogen bonds with other molecules.

How is 2,4-Dichloro-5-methylpyrimidine (CAS: 1780-31-0) typically synthesized?

2,4-Dichloro-5-methylpyrimidine (CAS: 1780-31-0) is often synthesized via a condensation reaction of 2,4-dichloropyrimidine with methyl bromide, catalyzed by a transition metal such as copper. The reaction typically occurs under anhydrous conditions and requires the use of a mild base to enhance reactivity. The yield is generally high, with selectivity towards the desired product, and the method is well-documented in the literature.

What industries use 2,4-Dichloro-5-methylpyrimidine (CAS: 1780-31-0)?

2,4-Dichloro-5-methylpyrimidine (CAS: 1780-31-0) finds applications in various industries. It is used in the pharmaceutical sector for the synthesis of certain drugs, in the polymer industry for developing specific polymers with unique properties, and in the sensor technology for creating chemical sensors. Additionally, it has been explored in semiconductor applications for its electronic properties.

What precautions should be taken when handling 2,4-Dichloro-5-methylpyrimidine (CAS: 1780-31-0)?

When handling 2,4-Dichloro-5-methylpyrimidine (CAS: 1780-31-0), it is essential to use proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat to prevent skin and eye contact. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbents, and all waste should be disposed of according to local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information.