2-Chloro-5-pyrimidinecarboxylic acid

Basic Information

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CAS Number

374068-01-6

Molecular Formula

C5H3ClN2O2

Molecular Weight

158.54 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

Physical State

Pale-yellow to Yellow-brown Solid

Melting Point

125-127.5 °C

Boiling Point

411.4°C at 760 mmHg

SMILES

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

InChI

InChI=1S/C5H3ClN2O2/c6-5-7-1-3(2-8-5)4(9)10/h1-2H,(H,9,10)

InChIKey

DUCXUPKLVVSJKA-UHFFFAOYSA-N

LogP

0.8281999999999998

Topological Polar Surface Area

63.08 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

134

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

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

Synonyms & References

English

AKOS005259158
2-Chloropyrimidine 5-carboxylic acid
2-chloro-5-pyrimidine carboxylic acid
DTXSID30454936
EN300-93959
2-CHLORO-5-PYRIMIDINECARBOXYLIC ACID
SCHEMBL63857
SY019434
5-Pyrimidinecarboxylicacid, 2-chloro-
BCP27466
PB24941
2-chloropyrimidine-5-carboxylic Acid
2-Chloro-pyrimidine-5-carboxylic acid
FT-0601815
PS-5015
Q-103422
2-Chloro-5-carboxypyrimidine
2-chloropyrimidine-5-carboxylic acid, AldrichCPR
MFCD06739036
374068-01-6
DUCXUPKLVVSJKA-UHFFFAOYSA-N
2-Chloro-pyrimidine-5-carboxylic acid;2-Chloropyrimidine-5-carboxylic Acid
2-Chloropyrimidine-5-carboxylicacid
AM20090600
Z1143448915
AC-28232
A6396
CS-W019608
2-Chloropyrimidine-5-carboxylic acid
2-Chloro-5-pyrimidinylcarboxylic acid
5-Carboxy-2-chloropyrimidine

MDL Number

MFCD06739036

Customs Code

2933599090

FAQ

What regulatory guidelines apply to 2-Chloro-5-pyrimidinecarboxylic acid (CAS: 374068-01-6)?

2-Chloro-5-pyrimidinecarboxylic acid (CAS: 374068-01-6) falls under GHS classification as a hazardous chemical. Regulatory guidelines include compliance with REACH regulations, FDA requirements for pharmaceutical use, and EPA guidelines for environmental protection. Proper labeling, storage, and disposal are necessary to ensure safety and regulatory compliance.

Are there alternatives to 2-Chloro-5-pyrimidinecarboxylic acid (CAS: 374068-01-6) in synthesis?

While 2-Chloro-5-pyrimidinecarboxylic acid is a key intermediate in some organic syntheses, alternatives include 5-Chloro-2-pyrimidinecarboxylic acid and 2-Amino-5-pyrimidinecarboxylic acid. Other reagents like 5-Chloropyrimidine-2-carboxylic acid can also be considered as substitutes, depending on the specific application.

What is the market or research trend for 2-Chloro-5-pyrimidinecarboxylic acid (CAS: 374068-01-6)?

The market for 2-Chloro-5-pyrimidinecarboxylic acid (CAS: 374068-01-6) is driven by its use in pharmaceuticals and agrochemicals. Research trends focus on its roles as an intermediate in the synthesis of antiviral and anticancer drugs. Price trends indicate stable demand, with slight fluctuations due to supply chain issues and cost of raw materials.

How should waste containing 2-Chloro-5-pyrimidinecarboxylic acid (CAS: 374068-01-6) be handled?

Waste containing 2-Chloro-5-pyrimidinecarboxylic acid (CAS: 374068-01-6) should be collected in appropriate containers and disposed of through professional waste disposal services. Incineration is a common method, ensuring complete destruction. Environmental protection measures include proper containment to prevent spillage and adherence to local environmental regulations to prevent contamination of soil and water sources.