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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
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.
signalword
Warning
hcodes
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)
