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:
Product Name
4-Formylbenzonitrile, 95%
InChI
1S/C8H5NO/c9-5-7-1-3-8(6-10)4-2-7/h1-4,6H
InChI key
WZWIQYMTQZCSKI-UHFFFAOYSA-N
SMILES string
O=Cc1ccc(cc1)C#N
assay
95%
form
powder
bp
133 °C/12 mmHg (lit.)
mp
100-102 °C (lit.)
Quality Level
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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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Cho Y J, et al.
Journal of the American Chemical Society, 127(8), 2380-2381 (2005)
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)
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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