2-Methyl-2-propanyl 3-nitrobenzoate

Basic Information

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CAS Number

58656-99-8

Molecular Formula

C11H13NO4

Molecular Weight

223.22 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

440 °C at 760 mmHg

Density

1.201

Flash Point

219.9 °C

Refractive Index

1.531

SMILES

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

InChI

InChI=1S/C11H13NO4/c1-11(2,3)16-10(13)8-5-4-6-9(7-8)12(14)15/h4-7H,1-3H3

InChIKey

SFFFYEGVQDWTNQ-UHFFFAOYSA-N

LogP

3.07330

Complexity

277

Synonyms & References

English

Tert-butyl 3-nitrobenzoate
Benzoic acid,3-nitro-,1,1-dimethylethyl ester
3-Nitrobenzoic acid t-butyl ester
MFCD02091504
3-Nitro-benzoic acid t-butyl ester
J-650259
FT-0653924
SB37803
BS-28928
58656-99-8
t-butyl 3-nitrobenzoate
tert-Butyl3-nitrobenzoate
AB1298
CS-0205235
DTXSID10474798
Benzoic acid, 3-nitro-,1,1-dimethylethyl ester
SFFFYEGVQDWTNQ-UHFFFAOYSA-N
3-nitro-benzoic acid tert-butyl ester
AKOS013210625
A831968
SCHEMBL4746148
tert-Butyl 3-nitrobenzoate
3-Nitro-benzoesaeure-tert-butylester
3-nitro-benzoic acid t-butyl ester
3-nitrobenzoic acid tert-butyl ester
t-Butyl-m-nitrobenzoat

MDL Number

MFCD02091504

Customs Code

2916399090

FAQ

What is 2-Methyl-2-propanyl 3-nitrobenzoate (CAS: 58656-99-8)?

2-Methyl-2-propanyl 3-nitrobenzoate is a chemical compound with the CAS number 58656-99-8. It is an ester compound with a molecular formula of C9H10NO3. This compound is characterized by its yellow to orange crystalline appearance and is commonly used in organic synthesis and pharmaceutical applications.

What are the main uses of 2-Methyl-2-propanyl 3-nitrobenzoate (CAS: 58656-99-8)?

2-Methyl-2-propanyl 3-nitrobenzoate (CAS: 58656-99-8) is primarily used in organic synthesis as a precursor for the synthesis of various organic compounds. It is also employed in pharmaceuticals for the production of certain drugs and in analytical chemistry for reagent development.

Is 2-Methyl-2-propanyl 3-nitrobenzoate (CAS: 58656-99-8) safe?

2-Methyl-2-propanyl 3-nitrobenzoate (CAS: 58656-99-8) is generally safe when handled with appropriate precautions. However, it is important to use personal protective equipment such as gloves and goggles to avoid skin and eye contact. Storage in a cool, dry place away from heat sources and oxidizers is recommended.

How should 2-Methyl-2-propanyl 3-nitrobenzoate (CAS: 58656-99-8) be stored?

2-Methyl-2-propanyl 3-nitrobenzoate (CAS: 58656-99-8) should be stored in a cool, dry place to prevent degradation. It should be kept away from heat sources and oxidizers to avoid potential hazards. The compound should be stored in a tightly sealed, amber glass container to protect it from light exposure.