Beraprost Impurity 36

Basic Information

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CAS Number

13865-19-5

Molecular Formula

C5H8O3

Molecular Weight

116.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Aldehydes

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Physical State

Colorless to Yellow Liquid

Boiling Point

187-188 °C

Refractive Index

n20/D 1.424(lit.)

SMILES

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COC(=O)CCC=O

InChI

InChI=1S/C5H8O3/c1-8-5(7)3-2-4-6/h4H,2-3H2,1H3

InChIKey

DLZVZNAPRCRXEG-UHFFFAOYSA-N

LogP

0.13849999999999985

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

87.7

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

Synonyms & References

English

Methyl 4-oxobutanoate
J-007163
SY026183
13865-19-5
AM20080287
Methyl 4-oxobutanoate (~85%)
EINECS 237-611-9
methyl-4-oxobutanoate
DLZVZNAPRCRXEG-UHFFFAOYSA-N
DTXSID20160736
Methyl4-oxobutanoate
SCHEMBL242764
3-formyl-propionic acid methyl ester
EN300-187997
Methyl 4-oxobutanoate, 90%
A22062
BP-27934
Succinaldehydic acid, methyl ester
Butanoic acid, 4-oxo-, methyl ester
BCP26085
UVT6EYC4N3
4-OXOBUTANOIC ACID METHYL ESTER
4-oxo-butyric acid methyl ester
Methyl 4-oxobutyrate
NS00024489
MFCD00082185
methyl 3-formylpropionate
2,3,4,6,7-Pentamethyldihydrobenzofuran-5-sulfonylchloride
AKOS005137977
FT-0600290
4-oxobutyric acid methyl ester

MDL Number

MFCD00082185

Customs Code

2918300090

FAQ

What is Beraprost Impurity 36 (CAS: 13865-19-5)?

Beraprost Impurity 36 (CAS: 13865-19-5) is a byproduct of the synthesis of the drug beraprost, which is used to treat pulmonary arterial hypertension. It is a prostaglandin derivative with similar pharmacological properties but lower efficacy.

What are the main uses of Beraprost Impurity 36 (CAS: 13865-19-5)?

Beraprost Impurity 36 (CAS: 13865-19-5) is primarily used in the pharmaceutical industry as a starting material or intermediate in the synthesis of beraprost. It may also be used for research purposes to study prostaglandin derivatives.

Is Beraprost Impurity 36 (CAS: 13865-19-5) safe?

Beraprost Impurity 36 (CAS: 13865-19-5) is considered safe when handled with appropriate precautions. It is non-toxic but should be used in a well-ventilated area to avoid inhalation. Protective gloves and goggles are recommended to prevent skin and eye contact.

How should Beraprost Impurity 36 (CAS: 13865-19-5) be stored?

Beraprost Impurity 36 (CAS: 13865-19-5) should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent degradation. Storage at room temperature is recommended to ensure stability.