1-Isocyanato-4-(trifluoromethoxy)benzene

Basic Information

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CAS Number

35037-73-1

Molecular Formula

C8H4F3NO2

Molecular Weight

203.12 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Melting Point

-29°C

Boiling Point

78°C/22mmHg

Water Solubility

Reacts with water.

Flash Point

69 ºC

Refractive Index

1.457-1.46

SMILES

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C1=CC(=CC=C1N=C=O)OC(F)(F)F

InChI

InChI=1S/C8H4F3NO2/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H

InChIKey

LGPKFIGMLPDYEA-UHFFFAOYSA-N

LogP

2.5525

Topological Polar Surface Area

38.66 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

227

Safety Information

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GHS Hazard Pictograms

H302

H312

H315

H319

H332

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

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

NS00002524
1-Isocyanato-4-trifluoromethoxy-benzene
T2487
1-isocyanato-4-trifluoromethoxybenzene
AC-9801
p-trifluoromethoxyphenyl isocyanate
C8H4F3NO2
DTXSID1067883
4-(trifluoromethoxy)-phenyl isocyanate
4-Trifluoromethoxy phenylisocyanate
1-Isocyanato-4-(trifluoromethoxy)-benzene
Isocyanic Acid 4-(Trifluoromethoxy)phenyl Ester
W-106694
1-Isocyanato-4-trifluoromethoxy-benzene;4-(Trifluoromethoxy)phenyl isocyanate
4-trifluoromethoxyphenylisocyanate
FT-0618819
AM62607
D92603
Benzene, 1-isocyanato-4-(trifluoromethoxy)-
35037-73-1
A6147
AKOS005063774
1-Isocyanato-4-(trifluoromethoxy)benzene
4-(Trifluoromethoxy)phenylisocyanate
p-(Trifluoromethoxy)phenyl isocyanate
4-(Trifluoromethoxy)phenyl isocyanate, 98%
4-trifluoromethoxy-phenyl isocyanate
1-Isocyanato-4-(trifluoromethoxy)benzene #
SCHEMBL180952
MFCD00035702
4-trifluoromethoxy-phenylisocyanate

MDL Number

MFCD00035702

Customs Code

2929109000

FAQ

What is 1-Isocyanato-4-(trifluoromethoxy)benzene (CAS: 35037-73-1)?

1-Isocyanato-4-(trifluoromethoxy)benzene is an organosulfur compound with the chemical formula C7H5NO2F3. It is a colorless or white crystalline solid with a distinctive odor. This compound is primarily used in the synthesis of various polymers and pharmaceuticals due to its reactive isocyanate group.

What are the main uses of 1-Isocyanato-4-(trifluoromethoxy)benzene (CAS: 35037-73-1)?

1-Isocyanato-4-(trifluoromethoxy)benzene is mainly used in the production of polyurethane elastomers and coatings. It serves as a monomer in the synthesis of advanced polymers and as an intermediate in the pharmaceutical industry for the development of certain drugs.

Is 1-Isocyanato-4-(trifluoromethoxy)benzene (CAS: 35037-73-1) safe?

1-Isocyanato-4-(trifluoromethoxy)benzene is considered safe when handled with appropriate precautions. It is slightly toxic and can cause skin irritation and respiratory issues if inhaled. Protective equipment such as gloves, goggles, and a respirator should be used. Storage should be in a well-ventilated area away from heat sources.

How should 1-Isocyanato-4-(trifluoromethoxy)benzene (CAS: 35037-73-1) be stored?

1-Isocyanato-4-(trifluoromethoxy)benzene should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container and protected from moisture. The storage temperature should not exceed 25°C (77°F) to ensure stability.