1-Isocyanato-4-phenoxybenzene

Basic Information

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CAS Number

59377-19-4

Molecular Formula

C13H9NO2

Molecular Weight

211.22 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 Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

170 °C/3 mmHg

Density

1.169 g/mL at 25 °C

Refractive Index

n20/D 1.595(lit.)

SMILES

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C1=CC=C(C=C1)OC2=CC=C(C=C2)N=C=O

InChI

InChI=1S/C13H9NO2/c15-10-14-11-6-8-13(9-7-11)16-12-4-2-1-3-5-12/h1-9H

InChIKey

PNBUGOFIKAHZRW-UHFFFAOYSA-N

LogP

3.446200000000002

Topological Polar Surface Area

38.66 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

247

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

SY101157
p-phenoxyphenylisocyanate
DTXSID70370560
CL8865
4-phenyloxyphenyl isocyanate
1-isocyanato-4-phenoxy-benzene
LS-14178
4-Phenoxyphenylisocyanate
F1945-0016
GEO-02103
PNBUGOFIKAHZRW-UHFFFAOYSA-N
SCHEMBL242048
4-phenoxy phenyl isocyanate
1-isocyanato-4-phenoxy benzene
AKOS005206708
A832289
4-Phenoxyphenyl isocyanate
MFCD00013876
EN300-271014
W-200449
4-Phenoxyphenyl isocyanate, 98%
59377-19-4
1-isocyanato-4-phenoxybenzene
Benzene, 1-isocyanato-4-phenoxy-
4-phenoxyphenyl-isocyanate
FT-0619373
4-phenoxyphenyl isocyanate
4-Isocyanatodiphenyl ether
p-Phenoxyphenyl isocyanate

MDL Number

MFCD00013876

Customs Code

2929109000

FAQ

What is 1-Isocyanato-4-phenoxybenzene (CAS: 59377-19-4)?

1-Isocyanato-4-phenoxybenzene is an organic compound with the CAS number 59377-19-4. It has a molecular formula of C11H9NO3 and is a colorless or yellowish solid. This compound is characterized by its isocyanate group and phenoxy substituent.

What are the main uses of 1-Isocyanato-4-phenoxybenzene (CAS: 59377-19-4)?

1-Isocyanato-4-phenoxybenzene is primarily used in the synthesis of various pharmaceuticals and dyes. It serves as a starting material in organic chemistry and plays a role in the development of new chemical entities for medicinal and industrial applications.

Is 1-Isocyanato-4-phenoxybenzene (CAS: 59377-19-4) safe?

1-Isocyanato-4-phenoxybenzene is considered safe when handled with appropriate precautions. However, it is a hazardous chemical and requires proper storage and handling to avoid inhalation, skin contact, and eye exposure. Protective equipment such as gloves, goggles, and a lab coat should always be worn when working with this compound.

How should 1-Isocyanato-4-phenoxybenzene (CAS: 59377-19-4) be stored?

1-Isocyanato-4-phenoxybenzene should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent exposure to air and moisture. The storage area should be well-ventilated and away from incompatible substances, such as reducing agents, acids, and bases.