4-Pyrimidinecarboxylic acid

Basic Information

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CAS Number

31462-59-6

Molecular Formula

C5H4N2O2

Molecular Weight

124.1 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

White to Yellow Solid

Melting Point

225.0 to 229.0 deg-C

Boiling Point

318.7°C at 760 mmHg

Density

1.403

Flash Point

146.5℃

Refractive Index

1.579

SMILES

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C1=CN=CN=C1C(=O)O

InChI

InChI=1S/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9)

InChIKey

YPOXGDJGKBXRFP-UHFFFAOYSA-N

LogP

0.1747999999999999

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

116

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H318 Causes serious eye damage
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

YPOXGDJGKBXRFP-UHFFFAOYSA-N
4-OXO-HEX-5-ENOICACIDETHYLESTER
FT-0602225
AM20090449
InChI=1/C5H4N2O2/c8-5(9)4-1-2-6-3-7-4/h1-3H,(H,8,9
W-106899
pyrimidine-4-carboxylic acid
AE-641/00364016
4-pyrimidinecarboxylic acid
HY-W002404
pyrimidine-4-carboxylicacid
SY005548
SB10116
31462-59-6
SCHEMBL37469
A820865
EN300-111006
F3096-1882
4-pyrimidine-carboxylicacid
pyrimidine 4-carboxylic acid
DTXSID6067624
EINECS 250-641-7
AC-1223
MFCD00129737
AKOS002347146
PB29023
CHEMBL5197448
P1993
CS-W002404
BCP26720
Z57064900

MDL Number

MFCD00129737

FAQ

What regulatory guidelines apply to 4-Pyrimidinecarboxylic acid (CAS: 31462-59-6)?

4-Pyrimidinecarboxylic acid (CAS: 31462-59-6) falls under various regulatory guidelines depending on its intended use. Under REACH regulations in the EU, it may require authorization if it meets the criteria for high production volume. In the USA, FDA and EPA regulations may apply, particularly if it's used in pharmaceuticals or environmental applications. GHS classification is also relevant for handling and labeling purposes.

Are there alternatives to 4-Pyrimidinecarboxylic acid (CAS: 31462-59-6) in synthesis?

Several alternatives to 4-Pyrimidinecarboxylic acid (CAS: 31462-59-6) can be used in synthesis, including other carboxylic acids such as benzoic acid and salicylic acid, or related pyrimidine derivatives. These alternatives can offer similar functional groups for reaction but may have different properties and applications.

What is the market or research trend for 4-Pyrimidinecarboxylic acid (CAS: 31462-59-6)?

The market for 4-Pyrimidinecarboxylic acid (CAS: 31462-59-6) is primarily driven by its use in pharmaceuticals and agrochemicals. Recent research trends indicate increasing interest in its potential applications in antiviral and anticancer drugs. Market analysis suggests steady growth due to its diverse chemical properties and versatile reactivity.

How should waste containing 4-Pyrimidinecarboxylic acid (CAS: 31462-59-6) be handled?

Waste containing 4-Pyrimidinecarboxylic acid (CAS: 31462-59-6) should be collected in a compatible container and stored separately. Incineration is a common method of disposal, but professional waste disposal services are recommended to ensure compliance with local regulations. Proper labeling and documentation are necessary to avoid environmental contamination and ensure safety.