Tert-butyl 2-nitrobenzoate

Basic Information

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CAS Number

55666-41-6

Molecular Formula

C11H13NO4

Molecular Weight

223.23 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

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)8-6-4-5-7-9(8)12(14)15/h4-7H,1-3H3

InChIKey

DRGCBGCMYGTVIB-UHFFFAOYSA-N

LogP

3.07330

Complexity

277

Synonyms & References

English

tert-Butyl 2-nitrobenzoate
2-nitro-benzoic acid tert-butyl ester
AB1297
MFCD06291302
SCHEMBL4748764
2-NITRO-BENZOIC ACID TERT-BUTYL ESTER
A830744
DRGCBGCMYGTVIB-UHFFFAOYSA-N
Tert-butyl 2-nitrobenzoate
MB03772
55666-41-6
AKOS002723484
AS-44558
CS-0208740
DTXSID10406635
tert-Butyl2-nitrobenzoate
t-butyl nitrobenzoate
t-butyl 2-nitrobenzoate

MDL Number

MFCD06291302

Customs Code

2916399090

FAQ

What is Tert-butyl 2-nitrobenzoate (CAS: 55666-41-6)?

Tert-butyl 2-nitrobenzoate (CAS: 55666-41-6) is an organic compound with the molecular formula C11H12N2O4. It is a derivative of benzoic acid with a tert-butyl group and a nitro group attached. This compound is characterized by its crystalline form and is used in various applications due to its chemical properties.

What are the main uses of Tert-butyl 2-nitrobenzoate (CAS: 55666-41-6)?

Tert-butyl 2-nitrobenzoate (CAS: 55666-41-6) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of other compounds. It is also used in the research field for its reactivity and in the fabrication of certain organic materials.

Is Tert-butyl 2-nitrobenzoate (CAS: 55666-41-6) safe?

Tert-butyl 2-nitrobenzoate (CAS: 55666-41-6) can be handled safely with proper precautions. It is important to use appropriate personal protective equipment, such as gloves and goggles, and to follow safety guidelines during handling to prevent skin contact and inhalation. Avoid inhalation and contact with eyes or skin. Store away from heat and ignition sources.

How should Tert-butyl 2-nitrobenzoate (CAS: 55666-41-6) be stored?

Tert-butyl 2-nitrobenzoate (CAS: 55666-41-6) should be stored in a cool, dry place, away from heat and sources of ignition. Keep the container tightly closed and store it in a well-ventilated area. Use a suitable, non-reactive container for storage to prevent any chemical reactions or degradation of the compound.