4-Acetamidophenyl 2-acetoxybenzoate

Basic Information

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CAS Number

5003-48-5

Molecular Formula

C17H15NO5

Molecular Weight

313.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

178.0 to 182.0 deg-C

Boiling Point

537.8°C at 760 mmHg

Flash Point

279 oC

Refractive Index

1.4500 (estimate)

SMILES

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CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C

InChI

InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)

InChIKey

FEJKLNWAOXSSNR-UHFFFAOYSA-N

LogP

2.789500000000001

Topological Polar Surface Area

81.69999999999999 Å²

Hydrogen Bond Donor/Acceptor

1 / 6

Complexity

442

Safety Information

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GHS Hazard Pictograms

H303

Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

Toxicity

LD50 in mice, rats (mg/ml): 2000, ~10000 orally; 1255, 1830 i.p. (Robertson)

Synonyms & References

English

BENORILATE [MART.]
Benorilate (INN)
WIN 11450
KS-5206
4-acetamidophenyl 2-(acetyloxy)benzoate
DTXCID202649
J-514276
BENORILATE [INN]
NCGC00167468-01
5003-48-5
UNII-W1QX9DV96G
DB13657
Benorilate [INN:BAN:DCF]
Fenasprate
CHEMBL162036
4-(Acetylamino)phenyl 2-(acetyloxy)benzoate
CHEBI:135340
NCGC00167468-02
(4-acetamidophenyl) 2-acetyloxybenzoate
WIN-11450
2-Acetoxy-4'-(acetamino)phenylbenzoate
SR-01000944978
BENORYLATE [MI]
Benorilatum
HY-107795
BCPP000346
Benzoic acid, 2-(acetyloxy)-, 4-(acetylamino)phenyl ester
4-acetamidophenyl 2-acetoxybenzoate
2-(Acetyloxy)benzoic acid 4-(acetylamino)phenyl ester
Benorilatum [INN-Latin]
DTXSID5022649

MDL Number

MFCD00864257

Customs Code

2924299090

FAQ

What regulatory guidelines apply to 4-Acetamidophenyl 2-acetoxybenzoate (CAS: 5003-48-5)?

4-Acetamidophenyl 2-acetoxybenzoate (CAS: 5003-48-5) is subject to GHS classification, REACH regulations, and FDA/EPA requirements. It is classified as a hazardous chemical and requires proper labeling and documentation. Under REACH, it must be registered with the European Chemicals Agency (ECHA). In the United States, it must comply with EPA regulations for handling and disposal to ensure environmental safety.

Are there alternatives to 4-Acetamidophenyl 2-acetoxybenzoate (CAS: 5003-48-5) in synthesis?

Alternatives to 4-Acetamidophenyl 2-acetoxybenzoate (CAS: 5003-48-5) include isosteres like 4-acetamidophenyl benzoate and related esters. Common alternative reagents include 4-acetamidophenol and various carboxylic acids. These alternatives can offer similar functional groups but may differ in reactivity and solubility, making them suitable for different synthetic routes.

What is the market or research trend for 4-Acetamidophenyl 2-acetoxybenzoate (CAS: 5003-48-5)?

The market for 4-Acetamidophenyl 2-acetoxybenzoate (CAS: 5003-48-5) is driven by its use in pharmaceutical applications, particularly in the development of pain and inflammatory treatments. Emerging research focuses on its potential as an intermediate in drug synthesis and as a bioactive compound. Market trends indicate increasing demand due to its therapeutic value and ongoing research into its pharmacological properties.

How should waste containing 4-Acetamidophenyl 2-acetoxybenzoate (CAS: 5003-48-5) be handled?

Waste containing 4-Acetamidophenyl 2-acetoxybenzoate (CAS: 5003-48-5) should be collected in compatible containers and stored separately. It should be handled by trained professionals and disposed of through authorized waste disposal services. Incineration is a common method, but chemical treatment and landfilling may also be used. Environmental protection measures include monitoring for leakage and ensuring no contamination of water sources. Compliance with local and international regulations is essential for safe disposal.