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137855

Sigma-Aldrich

1,3-Dimethyl-5-nitrobenzene

≥99%

Synonym(s):

5-Nitro-m-xylene

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About This Item

Linear Formula:
(CH3)2C6H3NO2
CAS Number:
99-12-7
Molecular Weight:
151.16
Beilstein/REAXYS Number:
1936130
EC Number:
202-732-8
MDL number:
MFCD00007269
UNSPSC Code:
12352100
PubChem Substance ID:
24848221
NACRES:
NA.22

assay

≥99%
≥99%

form

solid

bp

273 °C/739 mmHg (lit.)

mp

72-74 °C (lit.)

SMILES string

Cc1cc(C)cc(c1)[N+]([O-])=O

InChI

1S/C8H9NO2/c1-6-3-7(2)5-8(4-6)9(10)11/h3-5H,1-2H3

InChI key

BYFNZOKBMZKTSC-UHFFFAOYSA-N

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Application

1,3-Dimethyl-5-nitrobenzene was used in aerobic oxidation of aromatic anilines to aromatic azo compounds using gold nanoparticles supported on TiO2 as a catalyst[1].

pictograms

Skull and crossbonesHealth hazard
GHS06,GHS08

signalword

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - STOT RE 2

Storage Class

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

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges

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Certificates of Analysis (COA)

Lot/Batch Number
MKCL1716
MKBZ0423V
MKBW7875V
MKBW6282V
MKBW6116V

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Abdessamad Grirrane et al.
Nature protocols, 5(3), 429-438 (2010-03-06)
This protocol describes the aerobic oxidation of aromatic anilines to aromatic azo compounds using gold (Au) nanoparticles supported on TiO(2) as a catalyst. Yields above 98% are achieved under a few bars of oxygen pressure. It should be noted that

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