Ethyl (4-nitrophenyl)acetate

Basic Information

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CAS Number

5445-26-1

Molecular Formula

C10H11NO4

Molecular Weight

209.2 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

Basic Physical Properties

Melting Point

62.0 to 66.0 deg-C

Boiling Point

196°C/20mmHg

Flash Point

144.1℃

Refractive Index

1.5400 (estimate)

SMILES

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CCOC(=O)CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C10H11NO4/c1-2-15-10(12)7-8-3-5-9(6-4-8)11(13)14/h3-6H,2,7H2,1H3

InChIKey

DWDRNKYLWMKWTH-UHFFFAOYSA-N

LogP

2.22360

Complexity

228

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

AC7516
Q63392738
NS00033087
Ethyl (4-nitrophenyl)acetate
Benzeneacetic acid, 4-nitro-, ethyl ester
CS-W005171
Oprea1_171692
(4-nitro-phenyl)-acetic acid ethyl ester
DTXSID7063891
W-105623
SY003304
Ethyl p-nitrophenylacetate
NSC-21986
1-[2-(Acetyloxy)-6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl]-5-bromo-1-(2-fluorophenyl)-2-pentanone (2Z)-2-Butenedioate
N0228
SCHEMBL398701
Acetic acid, 2-(4-nitrophenyl)-, ethyl ester
2MK8FK7CSQ
ethyl 4-nitrophenyl-acetate
Maybridge1_006416
Acetic acid, (p-nitrophenyl)-, ethyl ester
MFCD00017046
p-nitro-phenylacetic acid, ethyl ester
AC-2902
SCHEMBL16976416
DS-1393
Ethyl 4-nitrophenylacetate
Ethyl-4-nitrophenylacetate
p-nitrophenylacetic acid ethyl ester
FT-0619271
p-nitrophenylacetic acid, ethyl ester

MDL Number

MFCD00017046

FAQ

What are the physical and chemical properties of Ethyl (4-nitrophenyl)acetate (CAS: 5445-26-1)?

Ethyl (4-nitrophenyl)acetate (CAS: 5445-26-1) is a crystalline solid with a molecular weight of approximately 228.13 g/mol. It has a high solubility in organic solvents like ethanol and acetone but is sparingly soluble in water. Chemically, it is a nitrophenyl ester and exhibits moderate reactivity, particularly in nucleophilic substitution reactions. It is used in various applications requiring specific functional groups for synthesis and derivatization.

How is Ethyl (4-nitrophenyl)acetate (CAS: 5445-26-1) typically synthesized?

Ethyl (4-nitrophenyl)acetate (CAS: 5445-26-1) is typically synthesized by the esterification of 4-nitrophenol with acetic anhydride in the presence of a strong acid catalyst like sulfuric acid. The reaction is carried out at elevated temperatures to achieve high yield and selectivity. This compound can also be prepared by other methods, such as direct nitration of ethyl phenylacetate, followed by purification.

What industries use Ethyl (4-nitrophenyl)acetate (CAS: 5445-26-1)?

Ethyl (4-nitrophenyl)acetate (CAS: 5445-26-1) is primarily used in the pharmaceutical industry for the synthesis of various drugs and intermediates. It is also utilized in the production of organic pigments, dyes, and other chemical intermediates. Additionally, this compound has applications in the research and development of new materials, such as polymers and semiconductors.

What precautions should be taken when handling Ethyl (4-nitrophenyl)acetate (CAS: 5445-26-1)?

When handling Ethyl (4-nitrophenyl)acetate (CAS: 5445-26-1), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. This compound can irritate the skin and eyes, and fume hoods should be used to minimize inhalation risks. In the event of a spill, it should be handled carefully, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed emergency procedures and storage information.