146250
3-Formylbenzonitrile
98%
Synonym(s):
3-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:
246-549-1
Beilstein/REAXYS Number:
2205751
MDL number:
Product Name
3-Formylbenzonitrile, 98%
InChI key
HGZJJKZPPMFIBU-UHFFFAOYSA-N
InChI
1S/C8H5NO/c9-5-7-2-1-3-8(4-7)6-10/h1-4,6H
SMILES string
[H]C(=O)c1cccc(c1)C#N
assay
98%
form
powder
bp
210 °C (lit.)
mp
75-78 °C (lit.)
functional group
aldehyde
nitrile
Quality Level
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Related Categories
Application
3-Formylbenzonitrile was used in the synthesis of 3-(6,6-dimethyl-5,6-dihydro-4H-benzo[7,8]chromeno[6,5-d]oxazol-2-yl)benzonitrile.
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
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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Hong Zhao et al.
Chemistry (Weinheim an der Bergstrasse, Germany), 10(10), 2386-2390 (2004-05-18)
The molten reaction of 2-naphthol, 4-(aminomethyl)pyridine, and 4-pyridinecarboxaldehyde at about 180 degrees C yields trans-2,3-dihydro-2,3-di(4'-pyridyl)benzo[e]indole (1) which possesses two chiral centers, rather than an expected Betti-type reaction product with only one chiral carbon center. The same reactions, using 3-pyridinecarboxaldehyde, 4-cyanobenzaldehyde
Kelly C G Moura et al.
Bioorganic & medicinal chemistry, 20(21), 6482-6488 (2012-09-25)
Twenty-three naphthoimidazoles and six naphthoxazoles were synthesised and evaluated against susceptible and rifampicin- and isoniazid-resistant strains of Mycobacterium tuberculosis. Among all the compounds evaluated, fourteen presented MIC values in the range of 0.78 to 6.25 μg/mL against susceptible and resistant
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