Skip to Content
Merck
CN

185353

Phenyl isocyanate

≥98%

Synonym(s):

Isocyanatobenzene, PhNCO

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

Linear Formula:
C6H5NCO
CAS Number:
103-71-9
Molecular Weight:
119.12
NACRES:
NA.22
PubChem Substance ID:
24850685
eCl@ss:
39031801
UNSPSC Code:
12352100
EC Number:
203-137-6
MDL number:
MFCD00001994
Beilstein/REAXYS Number:
471391
Assay:
≥98%
Form:
liquid

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

InChI key

DGTNSSLYPYDJGL-UHFFFAOYSA-N

InChI

1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H

SMILES string

O=C=Nc1ccccc1

vapor pressure

1.4 mmHg ( 20 °C)

assay

≥98%

form

liquid

refractive index

n20/D 1.535 (lit.)

bp

162-163 °C (lit.)

mp

−30 °C (lit.)

density

1.096 g/mL at 25 °C (lit.)

functional group

isocyanate

storage temp.

2-8°C

Quality Level

100

Looking for similar products? Visit Product Comparison Guide

Related Categories

General description

Phenyl isocyanate reacts with ethyl alcohol to yield ethyl α,γ-diphenylallophanate and trace of phenyl isocyanate dimer.

Application

Phenyl isocyanate (PhNCO) can undergo addition reaction with primary nitroparaffins in the presence of a tertiary alkyl amine catalyst to form sym-disubstituted urea and furoxane. It can also react with cyclohexadienones to form vicinal diamine-containing heterocycle derivatives.
Phenyl isocyanate was used to prepare chemically modified cellulose paper. It was used in the synthesis of functionalized graphene oxide nanoplatelets.

signalword

Danger

Hazard Classifications

Acute Tox. 1 Inhalation - Acute Tox. 4 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Dam. 1 - Flam. Liq. 3 - Resp. Sens. 1 - Skin Corr. 1C - Skin Sens. 1A - STOT SE 3

target_organs

Respiratory system

Storage Class

3 - Flammable liquids

wgk

WGK 2

flash_point_f

123.8 °F - closed cup

flash_point_c

51 °C - closed cup

ppe

Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter

Regulatory Information

监管及禁止进口产品
This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
MKCZ9603
MKCX6846
SDBB2173
MKCV9407
MKCW6071

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

New Reactions of Phenyl Isocyanate and Ethyl Alcohol1.
Kogon IC.
Journal of the American Chemical Society, 78(19), 4911-4914 (1956)
The Reactions of Primary Nitroparaffins with Isocyanates1
Mukaiyama T and Hoshino T
Journal of the American Chemical Society, 82(20), 5339-5342 (1960)
DBU-Catalyzed Desymmetrization of Cyclohexadienones: Access to Vicinal Diamine-Containing Heterocycles
Jin H, et al.
Organic Letters, 20(16), 5006-5009 (2018)
Synthesis and exfoliation of isocyanate-treated graphene oxide nanoplatelets.
Stankovich S, et al.
Carbon, 44(15), 3342-3347 (2006)
L O Rosik et al.
Bioconjugate chemistry, 1(4), 251-256 (1990-07-01)
Daunorubicin (DNR) or doxorubicin (DOX) was modified with one of four "linker reagents" to produce electrophilic drug analogues for synthesis of bioconjugates. Synthesis and characterization of two new reagents [p-isothiocyanatobenzoyl chloride and 3-(p-isothiocyanatophenyl) propionyl chloride] are described here for the
View All Related Papers

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service