1-Chloro-4-isocyanato-2-methylbenzene

Basic Information

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CAS Number

51488-20-1

Molecular Formula

C8H6ClNO

Molecular Weight

167.6 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Boiling Point

244 ºC

Water Solubility

Hydrolyzes with water.

Flash Point

92 ºC

Refractive Index

1.5580

SMILES

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CC1=C(C=CC(=C1)N=C=O)Cl

InChI

InChI=1S/C8H6ClNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3

InChIKey

CXYBLHZWJJNVQE-UHFFFAOYSA-N

LogP

2.6157200000000005

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

177

Safety Information

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Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

51488-20-1
PS-10288
EN300-275264
SCHEMBL3922528
4-Chloro-3-methylphenylisocyanate
AKOS015995454
A828623
4-Chloro-3-methylphenyl isocyanate
GEO-00724
1-chloro-4-isocyanato-2-methylbenzene
W-200404
FT-0653674
CXYBLHZWJJNVQE-UHFFFAOYSA-N
MFCD11101408
Benzene,1-chloro-4-isocyanato-2-methyl-
1-Chloro-4-isocyanato-2-methylbenzene
2-Chloro-5-(isocyanato)toluene
3-Chloro-4-methylphenyl isocyanate
2-chloro-4-isocyanato-1-methyl-benzene
2-chloro-4-isocyanato-1-methyl-benzen
4-Chloro-m-tolyl isocyanate
3-chloro-4-methylphenylisocyanate

MDL Number

MFCD11101408

FAQ

What regulatory guidelines apply to 1-Chloro-4-isocyanato-2-methylbenzene (CAS: 51488-20-1)?

1-Chloro-4-isocyanato-2-methylbenzene (CAS: 51488-20-1) falls under the classification of a hazardous chemical according to the Globally Harmonized System of Classification and Labeling of Chemicals (GHS). It is regulated by the REACH regulations in the European Union, and the FDA and EPA in the United States for safety and environmental standards. Producers and users must adhere to specific handling, storage, and disposal guidelines to ensure workplace safety and environmental protection.

Are there alternatives to 1-Chloro-4-isocyanato-2-methylbenzene (CAS: 51488-20-1) in synthesis?

Alternative reagents such as anilines and isocyanates can be used as precursors in synthesizing similar compounds. For instance, benzyl isocyanate or diphenyl isocyanate can be used to replace 1-Chloro-4-isocyanato-2-methylbenzene depending on the specific reaction conditions and desired product. It is important to evaluate the feasibility and cost-effectiveness of these alternatives before implementation.

What is the market or research trend for 1-Chloro-4-isocyanato-2-methylbenzene (CAS: 51488-20-1)?

The market for 1-Chloro-4-isocyanato-2-methylbenzene (CAS: 51488-20-1) is primarily driven by its use in the production of polyurethane and other organic compounds. Research trends focus on developing safer and more sustainable alternatives due to its hazardous nature. Emerging studies are exploring the utilization of biodegradable materials and green chemistry principles to reduce the reliance on such hazardous chemicals.

How should waste containing 1-Chloro-4-isocyanato-2-methylbenzene (CAS: 51488-20-1) be handled?

Waste containing 1-Chloro-4-isocyanato-2-methylbenzene (CAS: 51488-20-1) must be collected and disposed of in accordance with local and international regulations. It is advisable to neutralize the waste with a suitable reagent before disposal, to minimize the risk of environmental contamination. Incineration or professional waste disposal services are recommended for safe and regulated disposal. Always consult with environmental protection agencies for specific handling procedures and disposal methods.