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Sigma-Aldrich

4-(Benzyloxy)phenyl isocyanate

98%

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About This Item

Linear Formula:
C6H5CH2OC6H4NCO
CAS Number:
50528-73-9
Molecular Weight:
225.24
MDL number:
MFCD00673046
UNSPSC Code:
12352100
PubChem Substance ID:
24872266

Assay

98%

bp

129 °C/0.2 mmHg (lit.)

mp

60-62 °C (lit.)

storage temp.

2-8°C

SMILES string

O=C=Nc1ccc(OCc2ccccc2)cc1

InChI

1S/C14H11NO2/c16-11-15-13-6-8-14(9-7-13)17-10-12-4-2-1-3-5-12/h1-9H,10H2

InChI key

HFIHSWMJFCMLJE-UHFFFAOYSA-N

General description

4-(Benzyloxy)phenyl isocyanate, also known as 1-(benzyloxy)-4-isocyanatobenzene, is an organic building block containing an isocyanate group.

Application

4-(Benzyloxy)phenyl isocyanate may be used in the synthesis of 1,3,5-tris(4-benzyloxyphenyl)-1,3,5-triazinane-2,4,6-trione via cyclotrimerization.[1]
It may be used in the synthesis of the following phenyl urea derivatives:[2]
  • 1-[4-(benzyloxy)phenyl]-3-(1-methyl-3-phenyl-1H-pyrazol-5-yl)urea
  • 1-[4-(benzyloxy)phenyl]-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]urea
  • 1-[4-(benzyloxy)phenyl]-3-[3-(2-chlorophenyl)-1-phenyl-1H-pyrazol-5-yl]urea
  • N-[4-[3-[4-(benzyloxy)phenyl]ureido]phenyl]nicotinamide
  • 1-[4-(benzyloxy)phenyl]-3-(1-nicotinoylindolin-5-yl)urea
  • 4-[3-[4-(benzyloxy)phenyl]ureido]-N-phenylbenzamide

Pictograms

Health hazardExclamation mark
GHS08,GHS07

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

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
03128CJ
04206PI
21931CS
10016CI
08117EC

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