Methyl 2-amino-5-nitrobenzoate

Basic Information

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CAS Number

3816-62-4

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

Boiling Point

377.9℃ at 760 mmHg

SMILES

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

InChI

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

InChIKey

VOQBLPBLKSXCDB-UHFFFAOYSA-N

LogP

2.06800

Complexity

238

Safety Information

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Hazard Statement

Synonyms & References

English

methyl 2-amino-5-nitro-benzoate
methyl-2-amino-5-nitrobenzoate
Benzoic acid, 2-amino-5-nitro-, methyl ester
DTXSID50380485
AKOS003263240
Z54903836
methyl 2-amino-5-nitrobenzoate
DS-13912
SCHEMBL890895
AC-28617
EN300-42629
3816-62-4
FT-0693073
SY102539
CS-W005636
MFCD00278157
Methyl 2-amino-5-nitrobenzoate

MDL Number

MFCD00278157

Customs Code

2922499990

FAQ

What are the physical and chemical properties of Methyl 2-amino-5-nitrobenzoate (CAS: 3816-62-4)?

Methyl 2-amino-5-nitrobenzoate (CAS: 3816-62-4) is a solid, crystalline compound. Its molecular weight is approximately 216.14 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. The compound is known for its stability in neutral and slightly acidic solutions. It is not highly reactive under normal conditions but may undergo nitro group reduction under reducing conditions.

How is Methyl 2-amino-5-nitrobenzoate (CAS: 3816-62-4) typically synthesized?

Methyl 2-amino-5-nitrobenzoate is typically synthesized via the nitration of methyl 2-aminobenzoate. This process involves reacting methyl 2-aminobenzoate with nitric acid in the presence of a catalyst such as sulfuric acid. The nitration step yields the target compound with good yield and selectivity. The process requires careful control of temperature and reaction time to avoid side reactions.

What industries use Methyl 2-amino-5-nitrobenzoate (CAS: 3816-62-4)?

Methyl 2-amino-5-nitrobenzoate (CAS: 3816-62-4) is used in the pharmaceutical industry as an intermediate in the synthesis of various drugs. It is also used in the polymer industry as a stabilizer and in the electronics industry for the production of sensors and semiconductors. Its use in these industries is primarily due to its unique chemical functionality and reactivity.

What precautions should be taken when handling Methyl 2-amino-5-nitrobenzoate (CAS: 3816-62-4)?

When handling Methyl 2-amino-5-nitrobenzoate (CAS: 3816-62-4), appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. The compound should be handled in a well-ventilated area or a fume hood to avoid inhalation. In case of a spill, it should be cleaned up using appropriate absorbent materials. Safety data sheets (SDS) should be consulted for detailed emergency response and handling procedures.