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Merck
CN

493783

4-Cyanophenyl isocyanate

97%

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About This Item

Linear Formula:
NCC6H4NCO
CAS Number:
40465-45-0
Molecular Weight:
144.13
NACRES:
NA.22
PubChem Substance ID:
24872859
UNSPSC Code:
12352100
EC Number:
254-934-0
MDL number:
MFCD00037038

Key Documents

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Product Name

4-Cyanophenyl isocyanate, 97%

InChI key

TVSXDZNUTPLDKY-UHFFFAOYSA-N

InChI

1S/C8H4N2O/c9-5-7-1-3-8(4-2-7)10-6-11/h1-4H

SMILES string

O=C=Nc1ccc(cc1)C#N

assay

97%

mp

101-104 °C (lit.)

functional group

isocyanate
nitrile

storage temp.

2-8°C

Quality Level

100

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General description

4-Cyanophenyl isocyanate, also known as 4-isocyanatobenzonitrile, is an aryl isocyanate. It alters the surface of silk sericin in lithium chloride/dimethyl sulfoxide solvent by forming urethane linkages.

pictograms

Health hazardExclamation mark
GHS08,GHS07

signalword

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

11 - Combustible Solids

wgk

WGK 3

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCN7287
MKCL8601
MKBZ9953V
MKBQ8717V
35996BMV

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Reactivity of Hydroxy and Amino Derivatives of 2-Phenyl-1H-imidazoline and 2-Phenyl-1H-imidazole toward Isocyanates: Synthesis of Appropriate Carbamates and Ureas.
Parik P, et al.
Journal of Heterocyclic Chemistry, 50(4), 903-910 (2013)
Design, synthesis and antiproliferative activities of diaryl urea derivatives bearing N-acylhydrazone moiety.
Zhang B, et al.
Chinese Chemical Letters = Zhongguo Hua Xue Kuai Bao, 23(8), 915-918 (2012)
Linrong Zhu et al.
ChemMedChem, 8(7), 1104-1116 (2013-05-15)
The worldwide prevalence of diabetes has spurred numerous studies on the development of new antidiabetic medicines. As a result, dipeptidyl peptidase IV (DPP4) has been recognized as a validated target. In our efforts to discover new DPP4 inhibitors, we analyzed the
Hidetoshi Teramoto et al.
Biomacromolecules, 5(4), 1392-1398 (2004-07-13)
This paper reports chemical modification of silk sericin in LiCl/dimethyl sulfoxide (DMSO) solvent with 4-cyanophenyl isocyanate. Sericin is a highly hydrophilic protein secreted by Bombyx mori, serving as a protein glue in a cocoon. LiCl/DMSO was found to be a
Xue-Feng Cheng et al.
Chemistry, an Asian journal, 12(1), 45-51 (2016-10-27)
Herein, two molecules based on urea and thiourea, which differ by only a single atom, were designed, successfully synthesized, and fabricated into resistive random-access memory devices (RRAM). The urea-based molecule showed binary write-once-read-many (WORM) storage behavior, whereas the thiourea-based molecule

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