4,5-Dimethoxy-2-nitrobenzoic acid

Basic Information

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CAS Number

4998-07-6

Molecular Formula

C9H9NO6

Molecular Weight

227.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

195-197 °C

Boiling Point

409.5°C at 760 mmHg

Water Solubility

Insoluble in water. Soluble in DMSO and methanol. Solubility in hot 1mol/L NaOH (almost transparency).

Flash Point

201.4°C

Refractive Index

1.5800 (estimate)

SMILES

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COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OC

InChI

InChI=1S/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12)

InChIKey

WWCMFGBGMJAJRX-UHFFFAOYSA-N

LogP

1.83340

Complexity

276

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

D2628
GS-3023
4,5-Dimethoxy-2-nitrobenzoic acid
NS00045082
Benzoic acid, 4,5-dimethoxy-2-nitro-
3,4-Dimethoxy-6-nitrobenzoic acid
SCHEMBL375897
499-87-6
2-Nitroveratric acid
AKOS000120624
InChI=1/C9H9NO6/c1-15-7-3-5(9(11)12)6(10(13)14)4-8(7)16-2/h3-4H,1-2H3,(H,11,12
AM90262
AC-4249
2-nitro-4,5-dimethoxybenzoic acid
CS-D1437
6-Nitroveratric acid
D-ribo-Hexonic acid, 3-deoxy-, g-lactone
EINECS 225-657-2
ND4L58599P
4,5-dimethoxy-2-nitro-benzoic acid
EN300-20736
4,5-Dimethoxy-2-nitrobenzoic acid, 99%
Z104480406
SY033871
F0191-4929
FT-0621282
W-105998
4,5-Dimethoxy-2-nitrobenzoicAcid
UNII-ND4L58599P
DTXSID90198162
4998-07-6

MDL Number

MFCD00014697

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 4,5-Dimethoxy-2-nitrobenzoic acid (CAS: 4998-07-6)?

4,5-Dimethoxy-2-nitrobenzoic acid is a crystalline solid with a molecular weight of approximately 242.12 g/mol. It is slightly soluble in water and ethanol. The compound is relatively stable but can undergo hydrolysis under acidic or basic conditions. It is an ortho-hydroxy derivative, which affects its reactivity and solubility properties.

How is 4,5-Dimethoxy-2-nitrobenzoic acid (CAS: 4998-07-6) typically synthesized?

4,5-Dimethoxy-2-nitrobenzoic acid is commonly synthesized via the nitration of 4,5-dimethoxybenzoic acid. This process involves the use of concentrated nitric acid and concentrated sulfuric acid as the nitrating mixture. The reaction is carried out under controlled conditions to ensure high yield and selectivity.

What industries use 4,5-Dimethoxy-2-nitrobenzoic acid (CAS: 4998-07-6)?

4,5-Dimethoxy-2-nitrobenzoic acid finds applications in the pharmaceutical and polymer industries. It is used as a precursor in the synthesis of various medicinal compounds and as a monomer in the production of certain polymers. Additionally, it is utilized in the development of sensors and semiconductors for its specific electronic and chemical properties.

What precautions should be taken when handling 4,5-Dimethoxy-2-nitrobenzoic acid (CAS: 4998-07-6)?

When handling 4,5-Dimethoxy-2-nitrobenzoic acid, appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. Work should be conducted in a fume hood to prevent inhalation. Spills should be cleaned up immediately using appropriate absorbents and following the safety data sheet (SDS) guidelines to avoid skin contact and environmental contamination.