4-Nitrophenyl acetate

Basic Information

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CAS Number

830-03-5

Molecular Formula

C8H7NO4

Molecular Weight

181.15 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

77.0 to 80.0 deg-C

Boiling Point

314.24°C (rough estimate)

Density

1.304±0.06 g/cm3 (20 ºC 760 Torr),

Water Solubility

Insoluble in water.

Refractive Index

1.5468 (estimate)

SMILES

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CC(=O)OC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C8H7NO4/c1-6(10)13-8-4-2-7(3-5-8)9(11)12/h2-5H,1H3

InChIKey

QAUUDNIGJSLPSX-UHFFFAOYSA-N

LogP

2.04330

Complexity

203

Safety Information

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Stability

Stable. Combustible. Incompatible with strong oxidizing agents.

Synonyms & References

English

A0040
F31024
SY010750
830-03-5
UNII-I902J0QH9S
CS-W017169
N-3900
NS00022825
p-Nitrobenzene acetate
BRN 0515874
CHEBI:82635
AKOS015833423
P-NITROPHENYL ACETATE
SCHEMBL74985
Q27156150
MFCD00007326
AI3-00496
4-O2NC6H4OAc
PNP-ACETATE
I902J0QH9S
Acetic acid 4-nitro-phenyl ester
4-Nitrophenyl acetate, esterase substrate
p-Nitrophenol acetate
P-ACETOXY NITROBENZEN
CHEMBL40988
Acetic acid, 4-nitrophenyl ester
NSC 2633
AS-19298
K4V
NSC-2633
Phenol, p-nitro-, acetate

MDL Number

MFCD00007326

Customs Code

2915390090

FAQ

What regulatory guidelines apply to 4-Nitrophenyl acetate (CAS: 830-03-5)?

4-Nitrophenyl acetate (CAS: 830-03-5) falls under the category of chemicals regulated by various guidelines including GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for hazardous classification. Under REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) in the EU, it may require registration if used in quantities above thresholds. FDA (U.S. Food and Drug Administration) and EPA (U.S. Environmental Protection Agency) have specific standards for handling and disposing of this chemical to ensure safety and environmental protection.

Are there alternatives to 4-Nitrophenyl acetate (CAS: 830-03-5) in synthesis?

Alternatives to 4-Nitrophenyl acetate (CAS: 830-03-5) in synthesis include other nitrophenyl esters like 2-Nitrophenyl acetate, as well as esters of other acids such as benzoic acid. These can be used depending on the specific reaction conditions and desired product properties. It's important to consider the reactivity and solubility of these alternatives to find the most suitable for a given synthesis.

What is the market or research trend for 4-Nitrophenyl acetate (CAS: 830-03-5)?

The market for 4-Nitrophenyl acetate (CAS: 830-03-5) is primarily driven by its use in analytical chemistry and as a substrate for enzymatic assays. Research trends indicate an increasing focus on its application in biochemistry and drug discovery, particularly in enzyme inhibition studies. Demand is also influenced by its availability and cost, which can affect its use in different industries.

How should waste containing 4-Nitrophenyl acetate (CAS: 830-03-5) be handled?

Waste containing 4-Nitrophenyl acetate (CAS: 830-03-5) should be collected in appropriate containers and labeled accordingly. Proper disposal methods include incineration or professional waste disposal services, ensuring compliance with local and international environmental regulations. Precautions should include wearing protective gear and following safety protocols to prevent exposure and environmental contamination.