Acetylsalicylic Acid EP Impurity B (Salicylic Acid USP Related Compound B)

Basic Information

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CAS Number

636-46-4

Molecular Formula

C8H6O5

Molecular Weight

182.13 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

>300°C

Boiling Point

447.5 ℃ at 760 mmHg

Density

1.4411 (rough estimate)

Flash Point

238.6 °C

Refractive Index

1.5690 (estimate)

SMILES

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C1=CC(=C(C=C1C(=O)O)C(=O)O)O

InChI

InChI=1S/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13)

InChIKey

BCEQKAQCUWUNML-UHFFFAOYSA-N

LogP

0.7886

Topological Polar Surface Area

94.83 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

225

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

4-Hydroxyisophthalic acid
4-Hydroxy-1,3-benzenedicarboxylate
NSC2445
Eupirina
CS-M1087
636-46-4
NSC 2445
ACETYLSALICYLIC ACID IMPURITY B [EP IMPURITY]
AI3-24050
Salicylic acid impurity B, European Pharmacopoeia (EP) Reference Standard
W-203364
InChI=1/C8H6O5/c9-6-2-1-4(7(10)11)3-5(6)8(12)13/h1-3,9H,(H,10,11)(H,12,13
DTXSID50862332
4-Hydroxyisophthalicacid
Q27286362
P87FF77O00
4-hydroxyisophthalate
Z104503646
A21110
4-HYDROXYISOPHTHALIC ACID [MI]
4-Hydroxyisophthalic acid, 95%
4-10-00-02091 (Beilstein Handbook Reference)
AS-19417
FT-0618715
AKOS000121471
SY051837
BCEQKAQCUWUNML-UHFFFAOYSA-N
4-Hydroxybenzene-1,3-dicarboxylic acid
4-Hydroxylisophthalic acid
H0257
4-HIPA

MDL Number

MFCD00010391

Customs Code

2918290000

FAQ

What are the physical and chemical properties of Acetylsalicylic Acid EP Impurity B (CAS: 636-46-4)?

Acetylsalicylic Acid EP Impurity B (CAS: 636-46-4) is a white crystalline solid with a molecular weight of approximately 138.12 g/mol. It is moderately soluble in water and ethanol. Chemically, it is less reactive than the main acetylsalicylic acid but still exhibits some acidity, similar to its parent compound, salicylic acid. This impurity is known for its low solubility in common organic solvents and its limited reactivity in typical chemical transformations.

How is Acetylsalicylic Acid EP Impurity B (CAS: 636-46-4) typically synthesized?

Acetylsalicylic Acid EP Impurity B (CAS: 636-46-4) is typically synthesized through the acetylation of salicylic acid under controlled conditions. The process involves the reaction of salicylic acid with acetic anhydride in the presence of a catalyst, such as concentrated sulfuric acid, at a specific temperature. The yield varies depending on the purity of the starting materials and the reaction conditions.

What industries use Acetylsalicylic Acid EP Impurity B (CAS: 636-46-4)?

Acetylsalicylic Acid EP Impurity B (CAS: 636-46-4) is primarily used in the pharmaceutical industry as a quality control and impurity reference material. It is also relevant in the analytical chemistry sector for the development and validation of analytical methods. Additionally, it may be used in research and development for studying the behavior of related compounds in various chemical processes.

What precautions should be taken when handling Acetylsalicylic Acid EP Impurity B (CAS: 636-46-4)?

When handling Acetylsalicylic Acid EP Impurity B (CAS: 636-46-4), it is important to use appropriate personal protective equipment (PPE), including gloves and safety goggles. Work should be conducted in a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate methods. Always refer to the safety data sheet (SDS) for detailed handling and disposal instructions. Proper storage in a cool, dry place away from direct sunlight is recommended.