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25480

1-Chloro-3-nitrobenzene

Name: 1-Chloro-3-nitrobenzene
Brand: SIAL

purum, ≥98.0% (GC)

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About This Item

Fórmula lineal:

ClC₆H₄NO₂

Número de CAS:

121-73-3

Peso molecular:

157.55

Beilstein:

1907947

Número CE:

204-496-1

Número MDL:

MFCD00007202

Código UNSPSC:

12352100

ID de la sustancia en PubChem:

24855266

grado

purum

Análisis

≥98.0% (GC)

bp

236 °C (lit.)

mp

43-47 °C (lit.)
43-47 °C

densidad

1.534 g/mL at 25 °C (lit.)

cadena SMILES

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

InChI

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

Clave InChI

KMAQZIILEGKYQZ-UHFFFAOYSA-N

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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)

Chirality change of chloronitrobenzene on Au(111) induced by inelastic electron tunneling.

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.

Electron induced ortho-meta isomerization of single molecules.

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.

2-Chloronitrobenzene, 3-chloronitrobenzene and 4-chloronitrobenzene.

IARC monographs on the evaluation of carcinogenic risks to humans, 65, 263-296 (1996-01-01)

Substituent effect on electronic structures of halonitrobenzenes.

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

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