1-Isocyanato-2,4-dimethoxybenzene

Basic Information

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CAS Number

84370-87-6

Molecular Formula

C9H9NO3

Molecular Weight

179.17 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

30 °C

Boiling Point

140 °C/11 mmHg

Density

1.2822 (rough estimate)

Refractive Index

1.5465-1.5485

SMILES

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COc1ccc(N=C=O)c(OC)c1

InChI

InChI=1S/C9H9NO3/c1-12-7-3-4-8(10-6-11)9(5-7)13-2/h3-5H,1-2H3

InChIKey

WRAZHLRMDRTLOZ-UHFFFAOYSA-N

LogP

1.6710999999999998

Topological Polar Surface Area

47.89 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

201

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

H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled
Sensitization, respiratory

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

2,4-Dimethoxyphenyl isocyanate
1-Isocyanato-2,4-dimethoxybenzene

MDL Number

MFCD00002005

Customs Code

2929109000

FAQ

What are the physical and chemical properties of 1-Isocyanato-2,4-dimethoxybenzene (CAS: 84370-87-6)?

1-Isocyanato-2,4-dimethoxybenzene is a white crystalline solid with a molecular weight of approximately 252.22 g/mol. It has low solubility in water but good solubility in organic solvents like methanol and dichloromethane. This compound is moderately reactive, particularly towards nucleophiles, and it can undergo addition reactions and condensation reactions.

How is 1-Isocyanato-2,4-dimethoxybenzene (CAS: 84370-87-6) typically synthesized?

1-Isocyanato-2,4-dimethoxybenzene is typically synthesized via an aromatic nucleophilic substitution reaction. The synthesis involves the reaction of 2,4-dimethoxybenzoyl isocyanate with appropriate aromatic halides or esters in the presence of a base. The yield and selectivity can be controlled by the choice of reaction conditions and catalysts.

What industries use 1-Isocyanato-2,4-dimethoxybenzene (CAS: 84370-87-6)?

1-Isocyanato-2,4-dimethoxybenzene is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs. It is also utilized in the production of polymers, where it can act as a monomer or a crosslinking agent. Additionally, it has applications in the development of sensors and semiconductors.

What precautions should be taken when handling 1-Isocyanato-2,4-dimethoxybenzene (CAS: 84370-87-6)?

When handling 1-Isocyanato-2,4-dimethoxybenzene, appropriate personal protective equipment (PPE) should be worn, including gloves, goggles, and a lab coat. Operations should be performed in a well-ventilated environment or within a fume hood to minimize exposure to vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down. Refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.