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146250

Sigma-Aldrich

3-Formylbenzonitrile

98%

Synonym(s):

3-Cyanobenzaldehyde

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About This Item

Linear Formula:
NCC6H4CHO
CAS Number:
24964-64-5
Molecular Weight:
131.13
Beilstein:
2205751
EC Number:
246-549-1
MDL number:
MFCD00003344
UNSPSC Code:
12352100
PubChem Substance ID:
24848772
NACRES:
NA.22

Assay

98%

form

powder

bp

210 °C (lit.)

mp

75-78 °C (lit.)

functional group

aldehyde
nitrile

SMILES string

[H]C(=O)c1cccc(c1)C#N

InChI

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

InChI key

HGZJJKZPPMFIBU-UHFFFAOYSA-N

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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.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H315,H319,H335

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
S26693V
S26693
09403MH
18106TE
S36404

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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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