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Merck

C89609

4-Formylbenzonitrile

95%

Synonym(s):

4-Cyanobenzaldehyde

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About This Item

Linear Formula:
NCC6H4CHO
CAS Number:
Molecular Weight:
131.13
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
203-267-3
Beilstein/REAXYS Number:
606473
MDL number:
Assay:
95%
Form:
powder
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Quality Level

assay

95%

form

powder

bp

133 °C/12 mmHg (lit.)

mp

100-102 °C (lit.)

SMILES string

O=Cc1ccc(cc1)C#N

InChI

1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H

InChI key

WZWIQYMTQZCSKI-UHFFFAOYSA-N

Application

4-Formylbenzonitrile can be used in the synthesis of various boron-dipyrromethenes (BODIPY), porphyrins, corroles and other related macrocycles.


pictograms

Exclamation mark

signalword

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves



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Rothemund and Adler-Longo reactions revisited: synthesis of tetraphenylporphyrins under equilibrium conditions.
Lindsey J S, et al.
The Journal of Organic Chemistry, 52(5), 827-836 (1987)
meso-Pyrimidinyl-substituted A2B-and A3-corroles.
Ngo T H, et al.
The Journal of Organic Chemistry, 75(6), 2127-2130 (2010)
Unusually High Performance Photovoltaic Cell Based on a [60] Fullerene Metal Cluster? Porphyrin Dyad SAM on an ITO Electrode.
Cho Y J, et al.
Journal of the American Chemical Society, 127(8), 2380-2381 (2005)