4,6-Dichloropyrimidine-5-carboxylic acid

Basic Information

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CAS Number

87600-98-4

Molecular Formula

C5H2Cl2N2O2

Molecular Weight

192.99 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

331.1℃ at 760 mmHg

Density

1.718

Water Solubility

Slightly soluble in water.

Flash Point

167.8 °C

Refractive Index

1.614

SMILES

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C1=NC(=C(C(=N1)Cl)C(=O)O)Cl

InChI

InChI=1S/C5H2Cl2N2O2/c6-3-2(5(10)11)4(7)9-1-8-3/h1H,(H,10,11)

InChIKey

KGBLYFGHJNGQBK-UHFFFAOYSA-N

LogP

1.4816

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

157

Synonyms & References

English

4,6-dichloro-pyrimidine-5-carboxylic acid
4,6-Dichloro-5-pyrimidinecarboxylic acid
5-Pyrimidinecarboxylicacid, 4,6-dichloro-
4,6-Dichloropyrimidine-5-carboxylic acid
5-Pyrimidinecarboxylic acid, 4,6-dichloro-
5-Carboxy-4,6-dichloropyrimidine
4,6-Dichloro-pyrimidine-5-carboxylicacid
KSC446K2R
EOS248
BYS046
KGBLYFGHJNGQBK-UHFFFAOYSA-N
BCP10089
SBB053226
HT1080
DT2083
WT1985
ANW-5
4,6-dichloropyrimidine-5-carboxylic acid
4,6-Dichloro-5-pyrimidinecarboxylic acid (ACI)
SB57286
Z1065919832
4,6-DICHLOROPYRIMIDINE-5-CARBOXYLIC ACID
87600-98-4
AC-25227
SCHEMBL2032093
DS-11059
4,6-Dichloro-pyrimidine-5-carboxylic acid
EN300-108851
DB-031225
MFCD09909611
DTXSID00647535

MDL Number

MFCD09909611

Customs Code

2933599090

FAQ

What are the physical and chemical properties of 4,6-Dichloropyrimidine-5-carboxylic acid (CAS: 87600-98-4)?

4,6-Dichloropyrimidine-5-carboxylic acid is a white crystalline solid with a molecular weight of approximately 247.03 g/mol. It has a solubility of about 0.4 g/L in water. The compound is known for its moderate reactivity, particularly towards nucleophilic substitution and condensation reactions.

How is 4,6-Dichloropyrimidine-5-carboxylic acid (CAS: 87600-98-4) typically synthesized?

4,6-Dichloropyrimidine-5-carboxylic acid can be synthesized through the condensation of 4,6-dichloropyrimidine with acetic anhydride. The reaction is catalyzed by phosphoric acid and typically yields a pure product with good selectivity and high yield.

What industries use 4,6-Dichloropyrimidine-5-carboxylic acid (CAS: 87600-98-4)?

4,6-Dichloropyrimidine-5-carboxylic acid is primarily used in the pharmaceutical industry for the synthesis of certain drugs. It also finds applications in the polymer industry, where it serves as a monomer precursor, and in the development of sensors and materials for semiconductors.

What precautions should be taken when handling 4,6-Dichloropyrimidine-5-carboxylic acid (CAS: 87600-98-4)?

Proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn when handling 4,6-Dichloropyrimidine-5-carboxylic acid. The reaction should be conducted in a fume hood to minimize exposure. In case of spill, use appropriate cleanup materials and consult the Safety Data Sheet (SDS) for further guidance.