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Sigma-Aldrich

4-Phenoxyphenyl isocyanate

98%

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About This Item

Linear Formula:
C6H5OC6H4NCO
CAS Number:
Molecular Weight:
211.22
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:

Assay

98%

refractive index

n20/D 1.595 (lit.)

bp

170 °C/3 mmHg (lit.)

density

1.169 g/mL at 25 °C (lit.)

storage temp.

2-8°C

SMILES string

O=C=Nc1ccc(Oc2ccccc2)cc1

InChI

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

InChI key

PNBUGOFIKAHZRW-UHFFFAOYSA-N

General description

4-Phenoxyphenyl isocyanate, also known as 1-isocyanato-4-phenoxybenzene, is an aryl isocyanate. Its enthalpy of vaporization at boiling point has been reported.

Application

4-Phenoxyphenyl isocyanate may be used in the preparation of 1-(4-phenoxyphenyl)-3-(thiazol-2-yl)urea.

Pictograms

Health hazardExclamation mark

Signal Word

Danger

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

10 - Combustible liquids

WGK

WGK 3

Flash Point(F)

235.4 °F - closed cup

Flash Point(C)

113 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Faizul Azam et al.
Medicinal chemistry (Shariqah (United Arab Emirates)), 8(6), 1057-1068 (2012-06-30)
Synthesis of 1-(substituted aryl)-3-(thiazol-2-yl)urea derivatives was undertaken as our efforts to discover novel antiparkinsonian agents with improved pharmacological profile in haloperidol-induced catalepsy and oxidative stress in mice. Furfuryl, 2- and/or 3-methoxy substituted phenyl derivatives emerged as potent agents. With exception
Yaws CL.
Thermophysical Properties of Chemicals and Hydrocarbons, 605-605 (2008)

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