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439991

3-Cyanophenyl isocyanate

Name: 3-Cyanophenyl isocyanate
Brand: ALDRICH

97%

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About This Item

Linear Formula:

NCC₆H₄NCO

CAS Number:

16413-26-6

Molecular Weight:

144.13

NACRES:

NA.22

PubChem Substance ID:

24867556

UNSPSC Code:

12352100

MDL number:

MFCD00013856

Assay:

97%

Form:

solid

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Properties

Quality Segment

100

assay

97%

form

solid

mp

51-54 °C (lit.)

functional group

isocyanate, nitrile

SMILES string

O=C=Nc1cccc(c1)C#N

InChI

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

InChI key

NZHPVPMRNASEQK-UHFFFAOYSA-N

Description

General description

3-Cyanophenyl isocyanate is an aromatic isocyanate.

Application

3-Cyanophenyl isocyanate may be employed as starting reagent for the following syntheses:

R/S-4-(3-chlorophenylaminocarbonylamino)-3,4-dihydro-2,2-dimethyl-2H-1-benzopyran
1-(3-cyanophenyl)-3-(2-methoxy-6-pentadecylbenzyl)urea

pictograms

GHS08,GHS07

signalword

Danger

hcodes

H302 + H312 + H332,H315,H317,H319,H334,H335

pcodes

P261 - P264 - P280 - P301 + P312 - P302 + P352 + P312 - P305 + P351 + P338

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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