Methyl 5-amino-2-nitrobenzoate

Basic Information

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CAS Number

35998-96-0

Molecular Formula

C8H8N2O4

Molecular Weight

196.16 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

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

98-100 ºC

Boiling Point

394.466°C at 760 mmHg

Flash Point

192.366°C

Refractive Index

1.606

SMILES

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COC(=O)c1cc(N)ccc1[N+](=O)[O-]

InChI

InChI=1S/C8H8N2O4/c1-14-8(11)6-4-5(9)2-3-7(6)10(12)13/h2-4H,9H2,1H3

InChIKey

HBQRFDGMJZUGQV-UHFFFAOYSA-N

Complexity

238

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Synonyms & References

English

Methyl 5-amino-2-nitrobenzoate
LogP
5-Amino-2-nitro-benzoic acid methyl ester
Methyl 5-aMino-2-nitro benzoate
Benzoic acid, 5-amino-2-nitro-, methyl ester
HBQRFDGMJZUGQV-UHFFFAOYSA-N
TD1276
CM0123
4298AJ
METHYL5-AMINO-2-NITROBENZOATE
TRA0035937
FCH1136523
2-Nitro-5-aminobenzoic acid methyl ester
SY025067
AX8224120
AB0050897
ST24047968

MDL Number

MFCD12913482

FAQ

What regulatory guidelines apply to Methyl 5-amino-2-nitrobenzoate (CAS: 35998-96-0)?

Methyl 5-amino-2-nitrobenzoate (CAS: 35998-96-0) falls under the regulation of the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), which includes hazard communication labeling and safety data sheets. Additionally, it is subject to the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) regulations in the European Union. In the USA, it is regulated by the Environmental Protection Agency (EPA) and the Food and Drug Administration (FDA) for specific applications and safety standards.

Are there alternatives to Methyl 5-amino-2-nitrobenzoate (CAS: 35998-96-0) in synthesis?

There are several alternatives to Methyl 5-amino-2-nitrobenzoate (CAS: 35998-96-0) in synthesis, including other amino-nitrobenzoic acid derivatives. Commonly used alternatives include 2-nitrobenzoic acid and 5-amino-2-nitrobenzoic acid. These alternatives may provide similar functionalities but with different reactivity profiles, making them suitable for various synthetic routes.

What is the market or research trend for Methyl 5-amino-2-nitrobenzoate (CAS: 35998-96-0)?

The market for Methyl 5-amino-2-nitrobenzoate (CAS: 35998-96-0) is growing due to its applications in pharmaceuticals and organic synthesis. Research trends indicate increasing interest in its use as a precursor in the synthesis of complex molecules and as a functional group for further modification. The trend is also driven by advancements in green chemistry and sustainable synthesis methods.

How should waste containing Methyl 5-amino-2-nitrobenzoate (CAS: 35998-96-0) be handled?

Waste containing Methyl 5-amino-2-nitrobenzoate (CAS: 35998-96-0) should be collected in appropriate containers and stored separately to prevent contamination. It should be disposed of through professional waste disposal services that comply with local and national regulations. Incineration is a common method for disposal, and proper environmental protection measures, such as smokestack scrubbers, should be implemented to minimize environmental impact. Additionally, recycling or reusing the compound where possible should be considered to promote sustainability.