185353
Phenyl isocyanate
≥98%
Synonym(s):
Isocyanatobenzene, PhNCO
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About This Item
Linear Formula:
C6H5NCO
CAS Number:
Molecular Weight:
119.12
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39031801
UNSPSC Code:
12352100
EC Number:
203-137-6
MDL number:
Beilstein/REAXYS Number:
471391
Assay:
≥98%
Form:
liquid
vapor pressure
1.4 mmHg ( 20 °C)
Quality Segment
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
SMILES string
O=C=Nc1ccccc1
InChI
1S/C7H5NO/c9-6-8-7-4-2-1-3-5-7/h1-5H
InChI key
DGTNSSLYPYDJGL-UHFFFAOYSA-N
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.
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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
flash_point_f
123.8 °F - closed cup
flash_point_c
51 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
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