3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid

Basic Information

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CAS Number

77359-11-6

Molecular Formula

C10H9NO6

Molecular Weight

239.18 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

108.0 to 111.0 deg-C

Boiling Point

455.8℃ at 760 mmHg

Density

1.4470

Flash Point

229.5±24.6 °C

Refractive Index

1.579

Vapor Pressure

0.0±1.2 mmHg at 25°C

SMILES

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C1=CC(=CC=C1COC(=O)CC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)

InChIKey

RIGFMUNSTCPGNP-UHFFFAOYSA-N

LogP

1.63590

Complexity

302

Safety Information

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GHS Hazard Pictograms

H341

Hazard Statement

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Synonyms & References

English

3-[(4-nitrophenyl)methoxy]-3-oxopropanoic acid
3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic acid #
M1177
Propanedioic acid, 1-[(4-nitrophenyl)methyl] ester
DTXSID80343841
EXU753HR7Z
CS-W010295
4-Nitrobenzyl hydrogen malonate
AKOS015890040
RIGFMUNSTCPGNP-UHFFFAOYSA-N
SY014941
p-nitrobenzyl malonate
BCP12998
RIGFMUNSTCPGNP-UHFFFAOYSA-
3-((4-Nitrobenzyl)oxy)-3-oxopropanoic acid
77359-11-6
Mono p-nitro benzyl malonate
AC-7770
J-510742
3-(4-nitrobenzyloxy)-3-oxopropanoic acid
DS-1204
FT-0641645
2-{[(4-nitrophenyl)methyl]oxycarbonyl}acetic Acid
Propanedioic acid, mono[(4-nitrophenyl)methyl] ester
SCHEMBL1554845
A839066
Malonic Acid Mono-4-nitrobenzyl Ester
MFCD00191556
3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic acid
InChI=1/C10H9NO6/c12-9(13)5-10(14)17-6-7-1-3-8(4-2-7)11(15)16/h1-4H,5-6H2,(H,12,13)
1-[(4-Nitrophenyl)methyl] propanedioate

MDL Number

MFCD00191556

Customs Code

2918990090

FAQ

What is 3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid (CAS: 77359-11-6)?

3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid, with the CAS number 77359-11-6, is a chemical compound that contains a nitrobenzyl group attached to a propanoic acid backbone. It is a white to yellow solid with a molecular formula of C11H11NO6 and is known for its acidic properties and potential reactivity. This compound is commonly used in organic synthesis and research applications.

What are the main uses of 3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid (CAS: 77359-11-6)?

3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid (CAS: 77359-11-6) is primarily used in pharmaceutical research as a building block for drug development. It also finds applications in organic chemistry for synthesizing other compounds, and in industrial processes where functionalized acids are required. Its utility extends to research in biochemistry and material science.

Is 3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid (CAS: 77359-11-6) safe?

3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid (CAS: 77359-11-6) should be handled with caution. It may cause irritation to the skin, eyes, and respiratory system. Safety measures include wearing appropriate personal protective equipment (PPE), such as gloves and goggles, and working in a well-ventilated area. It is important to follow standard laboratory safety protocols when handling this chemical.

How should 3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid (CAS: 77359-11-6) be stored?

3-[(4-Nitrobenzyl)oxy]-3-oxopropanoic Acid (CAS: 77359-11-6) should be stored in a cool, dry, and dark place to maintain its stability. It is best kept in a sealed container away from moisture and incompatible substances. Storage at temperatures below 25°C and in a humidity-controlled environment is recommended to prevent degradation.