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Safety Information

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

Quality Level

100

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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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.

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

146250-5G:4548173105659
146250-1KG:
146250-25G:4548173105642
146250-BULK:
146250-VAR:
146250-1G:4548173105635

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Certificates of Analysis (COA)

Lot/Batch Number
S26693V
S26693
09403MH
18106TE
S36404

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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
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

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