1-Isocyanato-4-methylbenzene

Basic Information

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CAS Number

622-58-2

Molecular Formula

C8H7NO

Molecular Weight

133.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

74°C/12mmHg

Density

1.056 g/mL at 25 °C

Refractive Index

n20/D 1.531(lit.)

SMILES

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

InChI

InChI=1S/C8H7NO/c1-7-2-4-8(5-3-7)9-6-10/h2-5H,1H3

InChIKey

MGYGFNQQGAQEON-UHFFFAOYSA-N

LogP

1.96232

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

141

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

H334

H335

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

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

NS00007324
D92322
622-58-2
4-Tol-NCO
Epitope ID:116221
p-Tolyl isocyanate, 99%
UNII-BTR9S4N53V
EN300-20864
paratoluylisocyanate
tolyl mono-isocyanate
paramethylphenylisocyanate
374675-64-6
A833679
Isocyanic Acid p-Tolyl Ester
para-tolylisocyanate
4-methyl-phenyl-isocyanate
4-Methylphenyl diiodomethylsulfone
1-Isocyanato-4-methylbenzene
4'-Methyl-2-cyano-biphenyl
4-Isocyanatotoluene
PTI
4-Methylphenyl isocyanate
FT-0618818
p-methylphenylisocyanate
T0321
p-Toluene isocyanate
MS-20631
4-methyphenylisocyanate
p-Tolyl isocyanat
Benzene, 1-isocyanato-4-methyl-
4-Tolyl isocyanate

MDL Number

MFCD00002029

Customs Code

2929109000

FAQ

What is 1-Isocyanato-4-methylbenzene (CAS: 622-58-2)?

1-Isocyanato-4-methylbenzene (CAS: 622-58-2) is an organic compound with the molecular formula C8H7N2O. It is a colorless liquid with a characteristic odor. This compound is used in various applications including the production of polymers and as a chemical intermediate.

What are the main uses of 1-Isocyanato-4-methylbenzene (CAS: 622-58-2)?

1-Isocyanato-4-methylbenzene (CAS: 622-58-2) is primarily used as a chemical intermediate in the production of polymers, such as polyurethane resins. It also finds use in the synthesis of other organic compounds and as a reagent in industrial and research settings.

Is 1-Isocyanato-4-methylbenzene (CAS: 622-58-2) safe?

1-Isocyanato-4-methylbenzene (CAS: 622-58-2) is classified as a hazardous material and requires proper handling. It is toxic and can cause irritation to the skin, eyes, and respiratory system. Adequate ventilation and protective equipment are necessary when working with this compound.

How should 1-Isocyanato-4-methylbenzene (CAS: 622-58-2) be stored?

1-Isocyanato-4-methylbenzene (CAS: 622-58-2) should be stored in a cool, dry, and well-ventilated area away from heat, sparks, and open flames. It should be kept in a tightly closed container to prevent evaporation and contamination. Storing it below 25°C is recommended to ensure stability and safety.