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Merck

344575

Sigma-Aldrich

4-羟基-3-硝基苯甲腈

98%

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25 G
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25 G
$525.00

About This Item

线性分子式:
HOC6H3(NO2)CN
CAS号:
分子量:
164.12
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

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方案

98%

mp

146-148 °C (lit.)

官能团

nitrile
nitro

SMILES字符串

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

一般描述

4-Hydroxy-3-nitrobenzonitrile is one of the main photoproduct formed during hotolytic destruction of herbicide bromoxynil.[1]

应用

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

象形图

Exclamation mark

警示用语:

Warning

危险分类

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

靶器官

Respiratory system

储存分类代码

11 - Combustible Solids

WGK

WGK 3

闪点(°F)

Not applicable

闪点(°C)

Not applicable

个人防护装备

dust mask type N95 (US), Eyeshields, Gloves


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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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