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Safety Information

C89609

Sigma-Aldrich

4-Formylbenzonitrile

95%

Synonym(s):

4-Cyanobenzaldehyde

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About This Item

Linear Formula:
NCC6H4CHO
CAS Number:
105-07-7
Molecular Weight:
131.13
Beilstein:
606473
EC Number:
203-267-3
MDL number:
MFCD00003376
UNSPSC Code:
12352100
PubChem Substance ID:
24893118
NACRES:
NA.22

Quality Level

100

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

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Application

4-Formylbenzonitrile can be used in the synthesis of various boron-dipyrromethenes (BODIPY), porphyrins, corroles and other related macrocycles.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312 + H332

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral

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

C89609-25G:4548173192840
C89609-BULK:
C89609-1G:4548173192833
C89609-VAR:
C89609-5G:4548173192857

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Certificates of Analysis (COA)

Lot/Batch Number
STBG6579
STBG1392V
STBF7374V
STBF4852V
STBF2387V

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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)
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)
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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