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Sigma-Aldrich

1-Chloro-3-nitrobenzene

98%

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About This Item

Linear Formula:
ClC6H4NO2
CAS Number:
121-73-3
Molecular Weight:
157.55
Beilstein:
1907947
EC Number:
204-496-1
MDL number:
MFCD00007202
UNSPSC Code:
12352100
PubChem Substance ID:
24853084
NACRES:
NA.22

Assay

98%

form

solid

autoignition temp.

500 °F

bp

236 °C (lit.)

mp

43-47 °C (lit.)

solubility

alcohol: freely soluble (hot)(lit.)
alcohol: very slightly soluble(lit.)
carbon disulfide: freely soluble(lit.)
chloroform: freely soluble(lit.)
diethyl ether: freely soluble(lit.)
glacial acetic acid: freely soluble(lit.)
water: insoluble(lit.)

density

1.534 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C6H4ClNO2/c7-5-2-1-3-6(4-5)8(9)10/h1-4H

InChI key

KMAQZIILEGKYQZ-UHFFFAOYSA-N

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Application

1-Chloro-3-nitrobenzene was used in the preparation of aromatic azo compounds using gold (Au) nanoparticles supported on TiO2 as a catalyst. It was also used as surrogate standard to evaluate the removal of 2,4-dinitrotoluene from contaminated soils using enhanced electrokinetic remediation.

Pictograms

Skull and crossbones
GHS06

Signal Word

Danger

Hazard Statements

H302,H311,H412

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 4 Oral - Aquatic Chronic 3

Storage Class Code

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

WGK

WGK 3

Flash Point(F)

255.2 °F

Flash Point(C)

124 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

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Cyclodextrin-enhanced extraction and removal of 2, 4-dinitrotoluene from contaminated soils.
Khodadoust AP, et al.
Environmental Engineering Science, 25(4), 615-626 (2008)
[Hygienic study of the stability of methylnitrophos and pentachloronitrobenzene used in agriculture].
Sh T Atabaev et al.
Gigiena i sanitariia, (2)(2), 74-75 (1983-02-01)
Violeta Simic-Milosevic et al.
Angewandte Chemie (International ed. in English), 48(22), 4061-4064 (2009-04-01)
Chirality chameleon: Inelastic electron tunneling manipulation can be used to change a single chloronitrobenzene (ClNB) molecule, randomly adsorbed on Au(111), into its desired enantiomeric form (r or l, see STM images and ball-and-stick representation) and to vary its rotational orientation.
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
V Simic-Milosevic et al.
Physical review letters, 98(11), 116102-116102 (2007-05-16)
A scanning tunneling microscope operating at 5 K is used to induce the isomerization of single chloronitrobenzene molecules on Cu(111) and verify the reaction. The threshold voltage of (227+/-7) mV for this reaction is explained based on electron-induced vibrational heating.
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