Methyl 5-bromo-2-hydroxy-3-nitrobenzoate

Basic Information

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CAS Number

91983-31-2

Molecular Formula

C8H6BrNO5

Molecular Weight

276.04 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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C8H6BrNO5/c1-15-8(12)5-2-4(9)3-6(7(5)11)10(13)14/h2-3,11H,1H3

InChIKey

YGVJGAVKLPOPMS-UHFFFAOYSA-N

Complexity

266

Safety Information

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Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

Methyl 5-bromo-2-hydroxy-3-nitrobenzoate
Methyl 5-bromo-2-hydroxy-3-nitrobenzenecarboxylate
NULL
Benzoic acid, 5-bromo-2-hydroxy-3-nitro-, methyl ester
YGVJGAVKLPOPMS-UHFFFAOYSA-N
5534AC
STK366078
AK128458
ST51057528
5-Bromo-2-hydroxy-3-nitro-benzoic acid methyl ester
Salicylic acid, 5-bromo-3-nitro-, methyl ester (7CI)
methyl 5-bromo-2-hydroxy-3-nitrobenzoate
MFCD00458681
Methyl5-bromo-2-hydroxy-3-nitrobenzoate
SR-01000276443
DTXSID30359558
SY083073
J-522448
AKOS000264988
CS-0150901
F19613
SCHEMBL207052
MD-0013
91983-31-2
ALBB-019717
SR-01000276443-1
EN300-66829

MDL Number

MFCD00458681

FAQ

What are the physical and chemical properties of Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS: 91983-31-2)?

Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS: 91983-31-2) is a crystalline solid with a molecular weight of approximately 322.04 g/mol. It has a solubility of about 0.15 g/L in water and is slightly soluble in common organic solvents. This compound is highly reactive, particularly towards nucleophiles and reducing agents. It is sensitive to light and air, leading to degradation and discoloration.

How is Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS: 91983-31-2) typically synthesized?

Methyl 5-bromo-2-hydroxy-3-nitrobenzoate is typically synthesized via the nitration of methyl 5-bromo-2-hydroxybenzoate in the presence of concentrated sulfuric acid as a catalyst. The reaction is carried out at a temperature around 50°C. The yield is generally around 70-80%, and the product is purified by recrystallization from ethanol.

What industries use Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS: 91983-31-2)?

Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS: 91983-31-2) is used in the pharmaceutical industry for the synthesis of certain intermediates and in the development of new drugs. It is also utilized in the production of various sensors, where its reactivity and specificity are advantageous. Additionally, it finds applications in the synthesis of materials for semiconductors and as a reagent in organic chemistry research.

What precautions should be taken when handling Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS: 91983-31-2)?

When handling Methyl 5-bromo-2-hydroxy-3-nitrobenzoate (CAS: 91983-31-2), it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. This compound should be handled in a well-ventilated area or a fume hood due to its sensitivity to light and air. Spills should be cleaned up immediately with appropriate absorbent materials. Always consult the Safety Data Sheet (SDS) for specific handling and disposal instructions.