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Merck
CN

45957

1-Chloro-3-nitrobenzene

analytical standard

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About This Item

Linear Formula:
ClC6H4NO2
CAS Number:
121-73-3
Molecular Weight:
157.55
EC Number:
204-496-1
UNSPSC Code:
41116107
PubChem Substance ID:
329757022
Beilstein/REAXYS Number:
1907947
MDL number:
MFCD00007202

Key Documents

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InChI key

KMAQZIILEGKYQZ-UHFFFAOYSA-N

InChI

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

SMILES string

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

grade

analytical standard

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

bp

236 °C (lit.)

density

1.534 g/mL at 25 °C (lit.)

application(s)

environmental

format

neat

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Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Skull and crossbones
GHS06

signalword

Danger

Hazard Classifications

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

Storage Class

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

ppe

dust mask type N95 (US), Eyeshields, Faceshields, Gloves

Regulatory Information

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[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.
Maofa Ge et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 71(4), 1499-1502 (2008-06-25)
The electronic structures and substituent effects of o-, m-, and p-chloronitrobenzene and bromonitrobenzene have been studied by ultraviolet photoelectron spectroscopy (UPS). It was found that the o-isomer possesses particular electronic properties. This characteristic depends on the conjugation between the benzene
2-Chloronitrobenzene, 3-chloronitrobenzene and 4-chloronitrobenzene.
IARC monographs on the evaluation of carcinogenic risks to humans, 65, 263-296 (1996-01-01)
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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