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D194255

1,3-Dinitrobenzene

97% anhydrous basis

Synonym(s):

1,3-Dinitrobenzene, DNB, Meta-dinitrobenzene, m-Dinitrobenzene

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About This Item

Linear Formula:
C6H4(NO2)2
CAS Number:
99-65-0
Molecular Weight:
168.11
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24893577
EC Number:
202-776-8
Beilstein/REAXYS Number:
1105654
MDL number:
MFCD00007222
Assay:
97% anhydrous basis
Form:
solid
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Quality Segment

100

assay

97% anhydrous basis

form

solid

impurities

≤10.0% H2O

bp

297 °C (lit.)

mp

84-86 °C (lit.)

density

1.368 g/mL at 25 °C (lit.)

functional group

nitro

SMILES string

[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

General description

1,3-Dinitrobenzene can undergo reductive degradation by alkaline ascorbic acid to produce 1,3-phenylenediamine.

Application

1,3-Dinitrobenzene can be used as a reactant to synthesize:      
  • 2′,6′- dinitrobiphenyl-4-ol and 1-nitrodibenzofuran via copper-catalyzed regioselective cross-coupling reaction with 4-iodophenol and 2-iodophenol respectively.      
  • 1H-indazole derivatives by reacting with various N-tosylhydrazones in the presence of a base catalyst.      
  • 3-(1H-Tetrazol-1-yl)benzenamine by reacting with triethyl orthoformate and NaN3 in the presence of a three-functional redox catalytic system.

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Danger

Hazard Classifications

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

Storage Class

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

wgk

WGK 3

flash_point_f

302.0 °F - closed cup

flash_point_c

150 °C - closed cup

ppe

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

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