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Merck
CN

D194255

Sigma-Aldrich

1,3-二硝基苯

97% anhydrous basis

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别名:
1,3-Dinitrobenzene, DNB, Meta-dinitrobenzene, m-Dinitrobenzene
线性分子式:
C6H4(NO2)2
CAS号:
分子量:
168.11
Beilstein:
1105654
EC 号:
MDL编号:
UNSPSC代码:
12352100
PubChem化学物质编号:
NACRES:
NA.22

质量水平

检测方案

97% anhydrous basis

形式

solid

杂质

≤10.0% H2O

bp

297 °C (lit.)

mp

84-86 °C (lit.)

密度

1.368 g/mL at 25 °C (lit.)

SMILES字符串

[O-][N+](=O)c1cccc(c1)[N+]([O-])=O

InChI

1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H

InChI key

WDCYWAQPCXBPJA-UHFFFAOYSA-N

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一般描述

1,3-二硝基苯可通过碱性抗坏血酸维的还原降解生成1,3-苯二胺。

应用

1,3-二硝基苯可用作反应物来合成:      
  • 2′,6′-二硝基联苯-4-醇和 1-硝基二苯并呋喃分别与 4-碘苯酚和 2-碘苯酚通过铜催化的区域选择性交叉偶联反应。      
  • 1H-吲唑衍生物,通过在碱催化剂存在下与各种 N-甲苯磺酰腙反应。      
  • 3-(1H-四唑-1-基)苯胺,在三官能氧化还原催化体系存在下与原甲酸三乙酯和 NaN3 反应。

警示用语:

Danger

危险分类

Acute Tox. 1 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2

WGK

WGK 3

闪点(°F)

302.0 °F

闪点(°C)

150 °C

个人防护装备

Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges

法规信息

危险化学品

分析证书(COA)

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Zhenxing Liu et al.
Chemical communications (Cambridge, England), 50(39), 5061-5063 (2014-04-10)
A new method for the synthesis of 1H-indazoles from readily available N-tosylhydrazones and nitroaromatic compounds has been developed. This transformation occurs under transition-metal-free conditions and shows a wide substrate scope. The method has been successfully applied to the formal synthesis
Oxidation/MCR domino protocol for direct transformation of methyl benzene, alcohol, and nitro compounds to the corresponding tetrazole using a three-functional redox catalytic system bearing TEMPO/Co (III)-porphyrin/Ni (II) complex
Mahmoudi B, et al.
Molecular Catalysis, 499, 111311-111311 (2021)
1, 3-Dinitrobenzene reductive degradation by alkaline ascorbic acid--Reaction mechanisms, degradation pathways and reagent optimization
Ciou C,et al.
Chemosphere, 166, 482-488 (2017)
Copper-Mediated Vicarious Substitution of 1, 3-Dinitrobenzene with lodophenols or lodomethyl Phenyl Sulfoxide/Sulfone
Haglund O, et al.
Synthesis, 1990(10), 942-944 (1990)
Nidhi Goyal et al.
Pharmacological reports : PR, 67(3), 616-623 (2015-05-03)
Ulcerative colitis is a chronic inflammatory condition in which the inflammatory response confined to the colon. There is a need to explore the new targets for UC such as Farnesoid X receptor and hydrogen sulfide pathway. Wistar rats of either

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