344575
4-Hydroxy-3-nitrobenzonitrile
98%
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About This Item
Linear Formula:
HOC6H3(NO2)CN
CAS Number:
Molecular Weight:
164.12
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
221-899-8
MDL number:
Assay:
98%
InChI key
INBLGVOPOSGVTA-UHFFFAOYSA-N
InChI
1S/C7H4N2O3/c8-4-5-1-2-7(10)6(3-5)9(11)12/h1-3,10H
SMILES string
Oc1ccc(cc1[N+]([O-])=O)C#N
assay
98%
mp
146-148 °C (lit.)
functional group
nitrile, nitro
Quality Level
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
signalword
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
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
dust mask type N95 (US), Eyeshields, Gloves
Regulatory Information
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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)
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)
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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