4-Chloro-2-isocyanato-1-methylbenzene

Basic Information

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CAS Number

40411-27-6

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

115 °C/5 mmHg

Refractive Index

n20/D 1.556(lit.)

SMILES

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

InChI

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

InChIKey

XEMUTFNBAICJEO-UHFFFAOYSA-N

LogP

2.6157200000000014

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

177

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

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

Hazard Class

Class 6.1 Class 6.1

Sensitiveness

Moisture Sensitive

Synonyms & References

English

SCHEMBL23248
AKOS005171674
XEMUTFNBAICJEO-UHFFFAOYSA-N
4-chloro-2-isocyanato-1-methylbenzene
F1945-0015
5-CHLORO-2-METHYLPHENYLISOCYANATE
GEO-00725
CS0064
A825093
W-200355
2-methyl-5-chlorophenylisocyanate
MFCD00019913
Benzene, 4-chloro-2-isocyanato-1-methyl-
40411-27-6
5-Chloro-2-methylphenyl isocyanate, 98%
5-Chloro-2-methylphenyl isocyanate
PS-10284
FT-0620272
5-Chloro-2-methylphenyl isocyanate, redistilled
5-chloro-1-isocyanato-2-methyl benzene
DTXSID00377805
4-chloro-2-isocyanato-1-methyl-benzene
EN300-146739
5-chloro-2-methylphenyl isocyanate
Isocyanicacid, 5-chloro-o-tolyl ester (7CI)
2-Methyl-5-chlorophenyl isocyanate

MDL Number

MFCD00019913

Customs Code

2929109000

FAQ

What regulatory guidelines apply to 4-Chloro-2-isocyanato-1-methylbenzene (CAS: 40411-27-6)?

4-Chloro-2-isocyanato-1-methylbenzene (CAS: 40411-27-6) must comply with the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the EU, and FDA/EPA guidelines. It is classified as a hazardous chemical due to its isocyanate content, requiring appropriate handling, storage, and disposal measures.

Are there alternatives to 4-Chloro-2-isocyanato-1-methylbenzene (CAS: 40411-27-6) in synthesis?

Yes, there are alternatives to 4-Chloro-2-isocyanato-1-methylbenzene (CAS: 40411-27-6) in synthesis, such as 4-chloro-1-methylbenzene or other isocyanates like toluene diisocyanate (TDI). These alternatives can be used depending on the specific reaction conditions and the desired product.

What is the market or research trend for 4-Chloro-2-isocyanato-1-methylbenzene (CAS: 40411-27-6)?

The market trend for 4-Chloro-2-isocyanato-1-methylbenzene (CAS: 40411-27-6) is influenced by its use in specialized applications, such as in the synthesis of polyurethane polymers. Research is ongoing to explore its use in developing new materials and its potential in pharmaceuticals. However, due to its hazardous nature, the trend is towards safer alternatives.

How should waste containing 4-Chloro-2-isocyanato-1-methylbenzene (CAS: 40411-27-6) be handled?

Waste containing 4-Chloro-2-isocyanato-1-methylbenzene (CAS: 40411-27-6) should be collected in a sealed, leak-proof container and disposed of through a licensed hazardous waste disposal service. Proper incineration or chemical treatment is necessary to ensure safety and environmental protection. Always follow local regulations and safety protocols.