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C89609

Sigma-Aldrich

4-Formylbenzonitrile

95%

Synonym(s):

4-Cyanobenzaldehyde

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About This Item

Linear Formula:
NCC6H4CHO
CAS Number:
105-07-7
Molecular Weight:
131.13
Beilstein/REAXYS Number:
606473
EC Number:
203-267-3
MDL number:
MFCD00003376
UNSPSC Code:
12352100
PubChem Substance ID:
24893118
NACRES:
NA.22

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

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Application

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

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

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

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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)
Accessing near-infrared-absorbing BF2-azadipyrromethenes via a push?pull effect.
Jiao L, et al.
The Journal of Organic Chemistry, 79(4), 1830-1835 (2014)
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)
Minna K Rahnasto et al.
Bioorganic & medicinal chemistry, 19(23), 7186-7193 (2011-10-25)
The human CYP2A6 enzyme metabolises several xenobiotics including nicotine, the addictive component in tobacco. Reduced activity of CYP2A6, either for genetic reasons or by administering inhibitors of CYP2A6, reduces tobacco smoking. The aim was to design novel inhibitors of CYP2A6

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