1-(4-Isocyanatophenyl)ethanone

Basic Information

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CAS Number

49647-20-3

Molecular Formula

C9H7NO2

Molecular Weight

161.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

37°C

Boiling Point

139°C/14mmHg

Refractive Index

1.5050 (estimate)

SMILES

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

InChI

InChI=1S/C9H7NO2/c1-7(12)8-2-4-9(5-3-8)10-6-11/h2-5H,1H3

InChIKey

MOZSVHZOUDIZMF-UHFFFAOYSA-N

LogP

1.8565

Topological Polar Surface Area

46.5 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

211

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

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

GEO-00039
NSC223088
MFCD00013879
VS-14349
Ethanone, 1-(4-isocyanatophenyl)-
EN300-53737
FT-0618810
1-(4-isocyanato-phenyl)-ethanone
4-Acetylphenyl isocyanate
NSC-223088
4isocyanatoacetophenone
W-200392
1-(4-isocyanatophenyl)ethan-1-one
4-ISOCYANATO ACETOPHENONE
DTXSID00197949
NSC 223088
4-Acetylphenylisocyanate
AKOS005171096
A827781
1-(4-Isocyanatophenyl)ethanone #
SCHEMBL219763
4-acetyl phenyl isocyanate
49647-20-3
4-Isocyanatoacetophenone
4-Acetylphenyl isocyanate, 97%
1-(4-Isocyanatophenyl)ethanone
4-acetylphenyl isocyanate
Isocyanic Acid 4-Acetylphenyl Ester

MDL Number

MFCD00013879

Customs Code

2929109000

FAQ

What is 1-(4-Isocyanatophenyl)ethanone (CAS: 49647-20-3)?

1-(4-Isocyanatophenyl)ethanone, also known as 4-isocyanatobenzyl acetone (CAS: 49647-20-3), is a colorless or white crystalline compound. It is a ketone derivative with a molecular formula of C9H7N2O2. This compound is highly reactive and used in various applications due to its chemical properties.

What are the main uses of 1-(4-Isocyanatophenyl)ethanone (CAS: 49647-20-3)?

1-(4-Isocyanatophenyl)ethanone (CAS: 49647-20-3) is primarily used as a monomer in the synthesis of polyurethane resins. It is also used in the production of adhesives, coatings, and as a reactive diluent in certain polymer systems. Additionally, it is used in the pharmaceutical and fine chemical industries for the preparation of various compounds.

Is 1-(4-Isocyanatophenyl)ethanone (CAS: 49647-20-3) safe?

1-(4-Isocyanatophenyl)ethanone (CAS: 49647-20-3) is not considered safe for direct exposure or inhalation. It is highly reactive and can cause skin irritation and respiratory issues. Proper protective measures, including the use of gloves, goggles, and a respirator, should be taken when handling this compound. Adequate ventilation is essential during handling and storage.

How should 1-(4-Isocyanatophenyl)ethanone (CAS: 49647-20-3) be stored?

1-(4-Isocyanatophenyl)ethanone (CAS: 49647-20-3) should be stored in a cool, dry place, away from direct sunlight and heat sources. The storage area should have good ventilation. It should be kept in a tightly sealed container to prevent contamination and degradation. Handling should be done with care to avoid spills and inhalation.