4-Nitrophenyl hexanoate

Basic Information

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CAS Number

956-75-2

Molecular Formula

C12H15NO4

Molecular Weight

237.25 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

Boiling Point

145°C/1mmHg

Density

1,14 g/cm3

Refractive Index

n20/D 1.514

SMILES

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CCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]

InChI

InChI=1S/C12H15NO4/c1-2-3-4-5-12(14)17-11-8-6-10(7-9-11)13(15)16/h6-9H,2-5H2,1H3

InChIKey

OLRXUEYZKCCEKK-UHFFFAOYSA-N

LogP

3.60370

Complexity

254

Synonyms & References

English

4-Nitrophenyl Hexanoate
Hexanoic acid,4-nitrophenyl ester
N-CAPROIC ACID 4-NITROPHENYL ESTER
Hexanoic Acid 4-Nitrophenyl Ester
p-nitrophenyl caproate
Hexanoic acid, 4-nitrophenyl ester
p-Nitrophenyl hexanoate
4-NITROPHENYL CAPROATE
AK119002
4-Nitrophenyl hexanoate #
OLRXUEYZKCCEKK-UHFFFAOYSA-
OLRXUEYZKCCEKK-UHFFFAOYSA-N
ST2411580
AX8244418
Hexanoic acid, p-nitrophenyl ester (6CI, 7CI, 8CI)
4-Nitrophenyl caprate
4-Nitrophenyl caproate
4-Nitrophenyl hexanoate
p-Nitrophenol hexanoate
p-Nitrophenyl caproate
p-Nitrophenyl n-hexanoate

MDL Number

MFCD00056111

Customs Code

2915900090

FAQ

What are the physical and chemical properties of 4-Nitrophenyl hexanoate (CAS: 956-75-2)?

4-Nitrophenyl hexanoate (CAS: 956-75-2) is a crystalline solid with a molecular weight of approximately 289.12 g/mol. It is slightly soluble in water and more soluble in organic solvents like ethanol and acetone. The compound exhibits moderate reactivity, particularly towards nucleophiles and reducing agents. It is stable under normal conditions but should be stored in a cool, dark place to prevent decomposition.

How is 4-Nitrophenyl hexanoate (CAS: 956-75-2) typically synthesized?

4-Nitrophenyl hexanoate can be synthesized via an esterification reaction between hexanoic acid and 4-nitrophenol. Commonly, this involves the use of a mild dehydrating agent like phosphorus oxychloride or thionyl chloride. The reaction is carried out under mild heating, and the product is typically obtained with good yield and selectivity.

What industries use 4-Nitrophenyl hexanoate (CAS: 956-75-2)?

4-Nitrophenyl hexanoate is used in various industries. It serves as a key intermediate in the synthesis of pharmaceuticals, where it can be converted into other active pharmaceutical ingredients. Additionally, it is utilized in the production of sensors, semiconductors, and some polymer additives due to its functional groups.

What precautions should be taken when handling 4-Nitrophenyl hexanoate (CAS: 956-75-2)?

When handling 4-Nitrophenyl hexanoate (CAS: 956-75-2), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate safety protocols. Always consult the Safety Data Sheet (SDS) for detailed information on handling and disposal.