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344575

Sigma-Aldrich

4-Hydroxy-3-nitrobenzonitrile

98%

Linear Formula:
HOC6H3(NO2)CN
CAS Number:
Molecular Weight:
164.12
EC Number:
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Quality Level

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

Packaging

25 g in glass bottle

Pictograms

Exclamation mark

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

Certificate of Analysis

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Certificate of Origin

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