6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione

Basic Information

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CAS Number

6972-27-6

Molecular Formula

C6H7ClN2O2

Molecular Weight

174.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

110.0 to 114.0 deg-C

Boiling Point

224.6℃ at 760 mmHg

Density

1.4926 (rough estimate)

Flash Point

89.6 °C

Refractive Index

1.5500 (estimate)

SMILES

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CN1C(=CC(=O)N(C1=O)C)Cl

InChI

InChI=1S/C6H7ClN2O2/c1-8-4(7)3-5(10)9(2)6(8)11/h3H,1-2H3

InChIKey

VATQPUHLFQHDBD-UHFFFAOYSA-N

LogP

-0.26259999999999994

Topological Polar Surface Area

44.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

249

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

6-chloro-1,3-dimethylpyrimidine-2,4-(1H,3H)-dione
4-Chloro-1,3-dimethyluracil
AMY23300
SY036129
6-chloro-1,3-dimethylpyrimidine-2,4-dione
6-chloro-1,3-dimethylpyrimidine-2,4(1h,3h)-dione
SB57743
AS-12026
6972-27-6
6-chloro-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
D1619
6-Chloro-1,3-dimethyl-2,4-(1H,3H)-pyrimidinedione
FT-0602567
6-chloro-1,3-dimethyl-2,4-dioxopyrimidine
NSC 61919
6-chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione
NSC-61919
A836620
NSC61919
6-Chloro-1,3-dimethyluracil
6-Chloro-2,4-dihydroxy-1,3-dimethylpyrimidine
AC-14979
MFCD00038066
1,3-Dimethyl-4-chlorouracil
UNII-D2KV5G5M9F
AKOS005143005
SCHEMBL219172
W-104598
EN300-310134
CS-W017479
D2KV5G5M9F

MDL Number

MFCD00038066

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS: 6972-27-6)?

6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione, also known as chloropyrimethium, is a white crystalline solid with a molecular weight of approximately 190.01 g/mol. It has a limited solubility in water and good solubility in organic solvents. This compound is highly reactive, particularly towards nucleophiles and can undergo nucleophilic substitution reactions. It is stable under normal storage conditions but should be protected from moisture and heat.

How is 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS: 6972-27-6) typically synthesized?

6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is typically synthesized via the chlorination of 1,3-dimethyl-2,4(1H,3H)-pyrimidinedione. The reaction is usually catalyzed by Lewis acids such as aluminum chloride or ferric chloride. The yield is generally good, and the reaction is highly selective for the chlorination at the expected position. The final product is purified by recrystallization from an appropriate solvent.

What industries use 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS: 6972-27-6)?

6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione is used in various industries. It is a key intermediates in the pharmaceutical industry, particularly in the synthesis of antifungal drugs. It also finds applications in the polymer industry as a stabilizer and in the production of certain types of polymers. Additionally, it is used in the development of sensors and as a precursor for semiconductors.

What precautions should be taken when handling 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione (CAS: 6972-27-6)?

When handling 6-Chloro-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione, it is essential to use appropriate Personal Protective Equipment (PPE), including gloves, safety goggles, and a lab coat. It should be used in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be immediately cleaned up with appropriate absorbent materials, and the area should be thoroughly rinsed. The Material Safety Data Sheet (MSDS) should be consulted for detailed safety information and emergency procedures.