4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid

Basic Information

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CAS Number

60547-92-4

Molecular Formula

C15H13NO6

Molecular Weight

303.27 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

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

192 ºC

Boiling Point

504.4°C at 760 mmHg

Density

1.362±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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COC1=C(C=C(C(=C1)C(=O)O)[N+](=O)[O-])OCC2=CC=CC=C2

InChI

InChI=1S/C15H13NO6/c1-21-13-7-11(15(17)18)12(16(19)20)8-14(13)22-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3,(H,17,18)

InChIKey

VTHHRADLOLKTLD-UHFFFAOYSA-N

LogP

3.40380

Complexity

390

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

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

Synonyms & References

English

SY103858
FT-0687127
AB18132
GEO-02560
AC-28650
AS-10640
4-benzyloxy-5-methoxy 2-nitrobenzoic acid
4-Benzyloxy-5-methoxy-2-nitrobenzoic acid
2-nitro-4-benzyloxy-5-methoxy-benzoic acid
4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid
MFCD04114356
DTXSID60446208
4-Benzyloxy-5-methoxy-2-nitrobenzoicacid
Z415631408
AM808234
AKOS009461710
4-Benzyloxy-5-methoxy-2-nitro-benzoic acid
W-200456
CS-W019192
4-(Benzyloxy)-5-methoxy-2-nitrobenzoicacid
EN300-151381
A832770
Benzoic acid, 5-methoxy-2-nitro-4-(phenylmethoxy)-
5-methoxy-2-nitro-4-phenylmethoxybenzoic acid
60547-92-4
SCHEMBL159283
4-BENZYLOXY-5-METHOXY-2-NITRO-BENZOIC ACID
5-Methoxy-2-nitro-4-(phenylmethoxy)benzoic acid
4-Benzyloxy-3-methoxy-6-nitrobenzoic acid
VTHHRADLOLKTLD-UHFFFAOYSA-N
5-methoxy-2-nitro-4-phenylmethoxy-benzoic Acid

MDL Number

MFCD04114356

Customs Code

2918990090

FAQ

What are the physical and chemical properties of 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid (CAS: 60547-92-4)?

4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid is a crystalline solid with a molecular weight of approximately 329.21 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and ethanol. This compound exhibits typical reactivity of carboxylic acids and can undergo typical reactions such as esterification and amidation. It is also known for its stability under normal conditions but can decompose at high temperatures.

How is 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid (CAS: 60547-92-4) typically synthesized?

4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid is typically synthesized via the nitration of 4-(benzyloxy)-5-methoxybenzoic acid. This involves the use of a nitration mixture containing concentrated nitric acid and sulfuric acid. The reaction is carried out under controlled conditions to ensure high selectivity and yield, often achieved through the use of catalytic amounts of sulfuric acid as a catalyst.

What industries use 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid (CAS: 60547-92-4)?

4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid is used in the pharmaceutical industry for the synthesis of certain drugs. It is also applicable in the polymer industry for the development of functional polymers and in the sensor industry for use in various analytical applications. Additionally, it plays a role in semiconductor technology as a precursor in chemical vapor deposition processes.

What precautions should be taken when handling 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid (CAS: 60547-92-4)?

When handling 4-(Benzyloxy)-5-methoxy-2-nitrobenzoic acid, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to vapors. Spills should be cleaned up carefully and in accordance with safety data sheet (SDS) guidelines. Storage should be done in a cool, dry place away from heat sources and incompatible materials. Always refer to the most current SDS for detailed safety information.