Avanafil Impurity 61

Basic Information

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CAS Number

5909-24-0

Molecular Formula

C8H9ClN2O2S

Molecular Weight

232.69 g/mol

EINECS

227-619-0

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Physical State

White to light yellow to beige

Melting Point

60-63 °C

Boiling Point

132°C/0.4mmHg

Density

1.37±0.1 g/cm3(Predicted)

Flash Point

156.8 °C

Solubility

Chloroform, Ethyl Acetate

Refractive Index

1.568

SMILES

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CCOC(=O)C1=CN=C(N=C1Cl)SC

InChI

InChI=1S/C8H9ClN2O2S/c1-3-13-7(12)5-4-10-8(14-2)11-6(5)9/h4H,3H2,1-2H3

InChIKey

SNNHLSHDDGJVDM-UHFFFAOYSA-N

LogP

2.0286

pKa

-2.19±0.29(Predicted)

Topological Polar Surface Area

52.08 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

206

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

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

Hazard Class

Class IRRITANT Class IRRITANT

Class KEEP COLD Class KEEP COLD

Synonyms & References

English

NSC 123534
ethyl 4-chloro-2-methylsulfanylpyrimidine-5-carboxylate
4-chloro-2-methanesulfanylpyrimidine-5-carboxylic acid ethyl ester
4-chloro-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester
FT-0646364
ethyl 4-chloro-2-methylsulfanyl-5-pyrimidinecarboxylate
ethyl 4-chloro-2-methylsulfanyl-pyrimidine-5-carboxylate
E0841
4-Chloro-5-carbethoxy-2-methylthiopyrimidine
5909-24-0
W-203215
AM20100437
ethyl-4-chloro-2-methylthio-5-pyrimidine carboxylate
4-chloro-2-methylsulfanyl-5-pyrimidinecarboxylate ethyl ester
4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylic acid ethyl ester
ethyl 4-chloro-2-(methylthio)pyrimidine -5-carboxylate
NSC123534
HY-76558
ethyl 4-chloro-2-(methylthio)pyrimidine-5-carboxylate
ethyl-4-chloro-2-methylthio-5-pyrimidine-carboxylate
ethyl 4-chloro-2(methylthio)pyrimidine-5-carboxylate
4-Chloro-2-(methylthio)pyrimidine-5-carboxylic Acid Ethyl Ester
A8327
A9818
4-CHLORO-2-METHYLTHIO-5-CARBETHOXYPYRIMIDINE
J-520986
2-methylthio-4-chloropyrimidine-5-carboxylic acid ethyl ester
ethyl 4-chloro-2-(methylsulfanyl)pyrimidine-5-carboxylate
SB10541
2-methylthio-4-chloro-5-ethoxycarbonylpyrimidine
AC-26681

MDL Number

MFCD00006085

EC Number

227-619-0

Customs Code

29339900

FAQ

What is Avanafil Impurity 61 (CAS: 5909-24-0)?

Avanafil Impurity 61 (CAS: 5909-24-0) is a chemical compound identified as a byproduct or contaminant in the synthesis of avanafil, a PDE5 inhibitor used for erectile dysfunction. It is commonly encountered in pharmaceutical research and quality control processes. The compound's chemical structure and properties are critical for ensuring drug purity and compliance with regulatory standards.

What are the main uses of Avanafil Impurity 61 (CAS: 5909-24-0)?

Avanafil Impurity 61 (CAS: 5909-24-0) is primarily used in pharmaceutical research to analyze impurity profiles during drug development. It also plays a role in quality control testing to ensure the safety and efficacy of avanafil. Additionally, it may be used in analytical chemistry for method validation and regulatory submissions related to drug manufacturing.

Is Avanafil Impurity 61 (CAS: 5909-24-0) safe?

Avanafil Impurity 61 (CAS: 5909-24-0) safety data is limited, but as a chemical impurity, it should be handled with standard laboratory precautions. Proper ventilation, protective gloves, and eye protection are recommended during handling. Adherence to OSHA and EPA guidelines is essential to ensure safe use in pharmaceutical and research settings.

How should Avanafil Impurity 61 (CAS: 5909-24-0) be stored?

Avanafil Impurity 61 (CAS: 5909-24-0) should be stored in a cool, dry, and dark place to maintain stability. It requires airtight containers to prevent moisture and light exposure. Storage conditions should comply with ICH guidelines to ensure product integrity and safety during handling and transportation.