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344575

Sigma-Aldrich

4-Hydroxy-3-nitrobenzonitrile

98%

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About This Item

Linear Formula:
HOC6H3(NO2)CN
CAS Number:
3272-08-0
Molecular Weight:
164.12
EC Number:
221-899-8
MDL number:
MFCD00070775
UNSPSC Code:
12352100
PubChem Substance ID:
24861261
NACRES:
NA.22

Quality Level

100

Assay

98%

mp

146-148 °C (lit.)

SMILES string

Oc1ccc(cc1[N+]([O-])=O)C#N

InChI

1S/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H

InChI key

INBLGVOPOSGVTA-UHFFFAOYSA-N

Related Categories

General description

4-Hydroxy-3-nitrobenzonitrile is one of the main photoproduct formed during hotolytic destruction of herbicide bromoxynil.

Application

4-Hydroxy-3-nitrobenzonitrile may be used in the synthesis of:
  • 3-azido-4-methoxybenzonitrile
  • 4-methoxy-3-nitrobenzonitrile
  • ethyl [2,2-dimethyl-6-(Δ2-thiazolin-2-yl)-4H-l,4-benzoxazin-3-one-4-yl]butyrate

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

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

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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X-Ray Structural Analysis of Ethyl [2, 2-dimethyl-6-(?2-thiazolin-2-yl)-4H-1, 4-benzoxazin-3-one-4-yl] butyrate.
Caliendo G, et al.
Structural Chemistry, 9(2), 121-127 (1998)
Photochemistry of halogenated benzene derivatives. part xii.* effects of sodium nitrite on the environmental phototransformation of bromoxynil (3, 5-dibromo-4-hydroxybenzonitrile) herbicide in water: The photoincorporation of nitrite ions into bromoxynil.
Kochany J and Choudhry GG.
Toxicological & Environmental Chemistry, 27(4), 225-239 (1990)
Stanislav A Bakunov et al.
Journal of medicinal chemistry, 53(1), 254-272 (2009-11-26)
Novel dicationic triazoles 1-60 were synthesized by the Pinner method from the corresponding dinitriles, prepared via the copper(I)-catalyzed azide-alkyne cycloaddition (CuAAC). The type and the placement of cationic moieties as well as the nature of aromatic substituents influenced in vitro

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