2-Benzoylacetanilide

Basic Information

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CAS Number

959-66-0

Molecular Formula

C15H13NO2

Molecular Weight

239.27 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Physical State

Powder

Melting Point

105.0 to 108.0 deg-C

Boiling Point

473.6°C at 760 mmHg

Density

1.205

Flash Point

194.5°C

Solubility

acetone: soluble25mg/mL, clear, colorless to faintly yellow

Refractive Index

1.624

SMILES

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C1=CC=C(C=C1)C(=O)CC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C15H13NO2/c17-14(12-7-3-1-4-8-12)11-15(18)16-13-9-5-2-6-10-13/h1-10H,11H2,(H,16,18)

InChIKey

XRZDIHADHZSFBB-UHFFFAOYSA-N

LogP

2.8981000000000012

Topological Polar Surface Area

46.17 Å²

Hydrogen Bond Donor/Acceptor

1 / 3

Complexity

289

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

3-Oxo-N,3-diphenylpropanamide
2-BENZOYLACETANILIDE
2-BENZOYLACETOANILIDE
N-PHENYLACETAMIDE 3-oxo-3-phenylpropionan
ilide
N,3-Diphenyl-3-oxopropionamide
N-Phenyl-β-oxobenzenepropanamide
Acetanilide BP
USP
Benzoylacetanilide
3-Oxo-3-phenylpropionanilide
Benzenepropanamide, .beta.-oxo-N-phenyl-
Acetamide,N-(2-benzoylphenyl)-
XRZDIHADHZSFBB-UHFFFAOYSA-N
3-oxo-3-phenyl-N-phenylpropanamide
NSC210265
alpha-Benzoylacetanilide
Benzoylacetoanilide; 98%
.alpha.-Benzoylacetanilide
.alpha.-Benzoylacetoanilide
Oprea1_091654
MLS001180391
3-oxo-
Acetanilide, 2-benzoyl- (6CI, 7CI, 8CI)
β-Oxo-N-phenylbenzenepropanamide (ACI)
2-Benzoylacetanilide
N-Phenylbenzoylacetamide
NSC 210265
3-oxo-N,3-diphenyl-propionamide
959-66-0
3-[(2-methoxyphenyl)-phenyl-methyl]pentanedinitrile

MDL Number

MFCD00003084

Customs Code

2924299090

FAQ

What regulatory guidelines apply to 2-Benzoylacetanilide (CAS: 959-66-0)?

2-Benzoylacetanilide (CAS: 959-66-0) falls under the scope of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS) for its classification. It requires adherence to REACH regulations regarding registration, evaluation, authorization, and restriction of chemicals in the EU. In the USA, it is subject to FDA and EPA regulations for safety and environmental protection.

Are there alternatives to 2-Benzoylacetanilide (CAS: 959-66-0) in synthesis?

There are several alternatives to 2-Benzoylacetanilide (CAS: 959-66-0) in synthesis, such as benzoylacetamide and other substituted acetanilides. These alternatives can offer similar functionalities with varying properties and reactivities, making them suitable for different synthetic routes.

What is the market or research trend for 2-Benzoylacetanide (CAS: 959-66-0)?

The research trend for 2-Benzoylacetanilide (CAS: 959-66-0) focuses on its potential use as an analgesic and its role in the development of new drug candidates. Market demand is growing due to its efficacy in pain management, and there is continuous exploration into its pharmacological properties and therapeutic potential.

How should waste containing 2-Benzoylacetanilide (CAS: 959-66-0) be handled?

Waste containing 2-Benzoylacetanilide (CAS: 959-66-0) should be collected in appropriate containers and disposed of by professional waste disposal services. Incineration or other controlled destruction methods are recommended to ensure complete degradation. Environmental precautions include proper containment to prevent soil and water contamination, and adherence to local and international environmental protection laws and guidelines.