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D194255

Sigma-Aldrich

1,3-二硝基苯

97% anhydrous basis

别名:

1,3-二硝基苯, DNB, 间二硝基苯

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About This Item

线性分子式:
C6H4(NO2)2
CAS号:
99-65-0
分子量:
168.11
Beilstein:
1105654
EC 号:
202-776-8
MDL编号:
MFCD00007222
UNSPSC代码:
12352100
PubChem化学物质编号:
24893577
NACRES:
NA.22

方案

97% anhydrous basis

表单

solid

杂质

≤10.0% H2O

沸点

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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相关类别

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

储存分类代码

6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

闪点(°F)

302.0 °F - closed cup

闪点(°C)

150 °C - closed cup

个人防护装备

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

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
MKCV5256
MKCR2743
MKCN0773
MKCM4488
MKCL8178

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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)
Chenyu Lin et al.
BMC chemistry, 14(1), 66-66 (2020-12-10)
For analysis of weak π-π complexes proton-nuclear magnetic resonance (proton-NMR) simultaneously provides information of stacking configurations and association constants [Formula: see text] However, an apparent issue for this approach is inconsistent/impossible constant estimation which often leads to unreasonable interpretation for
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