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Merck
CN

171018

2,4-Dimethyl-1-nitrobenzene

Synonym(s):

1,3-Dimethyl-4-nitrobenzene, 4-Nitro-m-xylene

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About This Item

Linear Formula:
(CH3)2C6H3NO2
CAS Number:
89-87-2
Molecular Weight:
151.16
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24850341
EC Number:
201-947-4
Beilstein/REAXYS Number:
1865656
MDL number:
MFCD00007169

Key Documents

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InChI key

BBUPBICWUURTNP-UHFFFAOYSA-N

InChI

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

SMILES string

Cc1ccc(c(C)c1)[N+]([O-])=O

Quality Level

100

refractive index

n20/D 1.549 (lit.)

bp

244 °C (lit.)

mp

7-9 °C (lit.)

density

1.117 g/mL at 25 °C (lit.)

functional group

nitro

Related Categories

Application

2,4-Dimethyl-1-nitrobenzene was used in the synthesis of 1-alkynylphosphines and its oxides.

pictograms

Exclamation markEnvironment
GHS07,GHS09

signalword

Warning

hcodes

H302,H411

Hazard Classifications

Acute Tox. 4 Oral - Aquatic Chronic 2

Storage Class

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

wgk

WGK 2

flash_point_f

248.0 - 249.8 °F - Pensky-Martens closed cup

flash_point_c

120 - 121 °C - Pensky-Martens closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

Regulatory Information

危险化学品
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Certificates of Analysis (COA)

Lot/Batch Number
BCCG0210
1384633V
1384633
1384634
415260/1

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Rhodium-catalyzed synthesis of 1-alkynylphosphine oxides from 1-alkynes and tetraphenylbiphosphine.
Arisawa M, et al.
Tetrahedron Letters, 47(29), 5211-5213 (2006)
Tomohiro Ito et al.
Environmental science and pollution research international, 26(22), 22747-22755 (2019-06-07)
Secondary organic aerosol (SOA) is a component of airborne particulate matter in urban areas. However, their toxicities remain incompletely understood. In this study, we investigated the oxidative and inflammatory potency of SOA derived from three different volatile organic compounds (α-pinene
Tien D Ho et al.
Journal of chromatography. A, 1361, 217-228 (2014-08-26)
Ionic liquids (ILs) were used as a new class of diluents for the analysis of two classes of genotoxic impurities (GTIs), namely, alkyl/aryl halides and nitro-aromatics, in small molecule drug substances by headspace gas chromatography (HS-GC) coupled with electron capture

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