tert-butyl 3-fluoro-4-nitrobenzoate

Basic Information

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CAS Number

157665-52-6

Molecular Formula

C11H12FNO4

Molecular Weight

241.22 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

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C11H12FNO4/c1-11(2,3)17-10(14)7-4-5-9(13(15)16)8(12)6-7/h4-6H,1-3H3

InChIKey

CXQXHHIIMBWMCH-UHFFFAOYSA-N

Complexity

308

Synonyms & References

English

157665-52-6
DTXSID00440043
D96466
SY325356
A1-06556
EN300-120335
TERT-BUTYL 3-FLUORO-4-NITROBENZOATE
3-fluoro-4-nitro-benzoic acid tert-butyl ester
CXQXHHIIMBWMCH-UHFFFAOYSA-N
MFCD08703397
AKOS013153176
BS-49259
FT-0746069
TERT-BUTYL3-FLUORO-4-NITROBENZOATE
Benzoic acid, 3-fluoro-4-nitro-, 1,1-dimethylethyl ester
SCHEMBL357203
CS-0127791
Benzoic acid,3-fluoro-4-nitro-, 1,1-dimethylethyl ester
tert-butyl 3-fluoro-4-nitrobenzoate

MDL Number

MFCD08703397

FAQ

What regulatory guidelines apply to tert-butyl 3-fluoro-4-nitrobenzoate (CAS: 157665-52-6)?

Tert-butyl 3-fluoro-4-nitrobenzoate (CAS: 157665-52-6) falls under the scope of the REACH regulation in the European Union, which requires suppliers to register substances above a certain tonnage. Additionally, it is classified under the Globally Harmonized System (GHS) as a hazardous chemical due to its flammability and toxicity. In the U.S., it is regulated by the EPA under the Toxic Substances Control Act (TSCA) and the FDA for any potential use in pharmaceuticals.

Are there alternatives to tert-butyl 3-fluoro-4-nitrobenzoate (CAS: 157665-52-6) in synthesis?

Several alternatives to tert-butyl 3-fluoro-4-nitrobenzoate (CAS: 157665-52-6) can be used in synthesis, including other aromatic nitro compounds like 3-methyl-4-nitrobenzoic acid tert-butyl ester or 3-chloro-4-nitrobenzoic acid tert-butyl ester. These alternatives offer similar functional groups but with different substituents, allowing for diverse reactions and applications in organic chemistry.

What is the market or research trend for tert-butyl 3-fluoro-4-nitrobenzoate (CAS: 157665-52-6)?

The market for tert-butyl 3-fluoro-4-nitrobenzoate (CAS: 157665-52-6) is driven by its use in pharmaceuticals and agrochemicals, particularly in the synthesis of drugs targeting various diseases. Research trends are focusing on its application in developing new therapeutic agents and optimizing synthesis processes to improve yield and reduce costs. Additionally, there is increasing interest in its use as a precursor in organic synthesis and as a functional group in material science.

How should waste containing tert-butyl 3-fluoro-4-nitrobenzoate (CAS: 157665-52-6) be handled?

Waste containing tert-butyl 3-fluoro-4-nitrobenzoate (CAS: 157665-52-6) should be collected in appropriate containers and stored separately from incompatible materials. It should be disposed of through a licensed hazardous waste disposal facility. Incineration is a common method for disposal, but it must be conducted in compliance with local regulations. Environmental protection measures include ensuring no spillage or leakage, using personal protective equipment (PPE) during handling, and adhering to all safety guidelines to prevent accidental exposure or contamination.