1-Isocyanato-3-methylbenzene

Basic Information

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CAS Number

621-29-4

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

Melting Point

195 - 198

Boiling Point

96°C/44mmHg

Density

1.033 g/mL at 25 °C

Refractive Index

n20/D 1.5305(lit.)

SMILES

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

InChI

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

InChIKey

CPPGZWWUPFWALU-UHFFFAOYSA-N

LogP

1.9623199999999998

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

149

Safety Information

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GHS Hazard Pictograms

H315

H317

H319

H330

H334

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H330 Fatal 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

3-Tolyl isocyanate
3-methylphenylisocyanate
m-Isocyanatotoluene
W-105047
1-isocyanato-3-methylben-zene
EN300-20949
Meta-Tolyl Isocyanate
NS00020856
m-toluyl isocyanate
CPPGZWWUPFWALU-UHFFFAOYSA-
1-isocya-nato-3-methylbenzene
EINECS 210-676-0
DTXSID9060732
InChI=1/C8H7NO/c1-7-3-2-4-8(5-7)9-6-10/h2-5H,1H3
m-Tolyl isocyanate
SCHEMBL59246
AI3-28254
EC 210-676-0
m-Tolyl isocyanate, 99%
m-Tolylisocyanate
1-isocyanato-3-methyl benzene
AKOS000120748
MFCD00002021
3-methylphenyl-isocyanate
3-methyl phenyl isocyanate
3-tolylisocyanate
Isocyanic Acid m-Tolyl Ester
QR6QV3EC23
1-isocyanato-3-methyl-benzene
AS-13514
E78228

MDL Number

MFCD00002021

Customs Code

2929109000

FAQ

What regulatory guidelines apply to 1-Isocyanato-3-methylbenzene (CAS: 621-29-4)?

1-Isocyanato-3-methylbenzene (CAS: 621-29-4) is categorized under hazardous chemicals according to the Globally Harmonized System of Classification and Labelling of Chemicals (GHS). In the European Union, it falls under the REACH regulations, which require registration, evaluation, authorization, and restriction of certain chemicals. Additionally, the U.S. FDA and EPA may have specific handling, labeling, and disposal guidelines applicable to this compound.

Are there alternatives to 1-Isocyanato-3-methylbenzene (CAS: 621-29-4) in synthesis?

Alternatives to 1-Isocyanato-3-methylbenzene (CAS: 621-29-4) in synthesis include 1-phenyl-1,2-ethanediisocyanate and 2-isocyanatoethyl toluene. These compounds can serve similar functions in polymer synthesis and can be considered based on specific application requirements and availability.

What is the market or research trend for 1-Isocyanato-3-methylbenzene (CAS: 621-29-4)?

The market for 1-Isocyanato-3-methylbenzene (CAS: 621-29-4) is primarily driven by its use in the production of polyurethane-based materials. Recent research trends focus on developing more sustainable and environmentally friendly alternatives, as well as exploring its applications in coatings and adhesives. Price trends reflect the supply and demand dynamics in the chemical industry, with fluctuations influenced by global economic conditions and regulatory changes.

How should waste containing 1-Isocyanato-3-methylbenzene (CAS: 621-29-4) be handled?

Waste containing 1-Isocyanato-3-methylbenzene (CAS: 621-29-4) should be collected in appropriate leak-proof containers and stored in a well-ventilated area away from heat sources. Incineration is a common method of disposal, but professional waste disposal services are recommended to ensure compliance with environmental regulations. Proper protective measures should be taken during handling to prevent exposure and ensure safety.