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213055

Sigma-Aldrich

4-Chloro-3-nitrotoluene

technical grade

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Linear Formula:
CH3C6H3(NO2)Cl
CAS Number:
89-60-1
Molecular Weight:
171.58
EC Number:
201-922-8
MDL number:
MFCD00007085
UNSPSC Code:
12352100
PubChem Substance ID:
24852766
NACRES:
NA.22

grade

technical grade

Quality Level

100

form

liquid

refractive index

n20/D 1.558 (lit.)

bp

260 °C/745 mmHg (lit.)

mp

7 °C (lit.)

density

1.297 g/mL at 25 °C (lit.)

SMILES string

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

InChI

1S/C7H6ClNO2/c1-5-2-3-6(8)7(4-5)9(10)11/h2-4H,1H3

InChI key

NWESJZZPAJGHRZ-UHFFFAOYSA-N

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General description

Vibrational spectral analysis of 4-chloro-3-nitrotoluene has been studied using Raman and IR spectroscopy.

Application

4-Chloro-3-nitrotoluene was used in the synthesis of 4-(2-hydroxyethylamino)-3-nitrotoluene.

Pictograms

Exclamation markEnvironment
GHS07,GHS09

Signal Word

Warning

Hazard Statements

H315,H319,H335,H411

Hazard Classifications

Aquatic Chronic 2 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

WGK

WGK 3

Flash Point(F)

264.2 °F

Flash Point(C)

129 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

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Daniel V Labarbera et al.
Bioorganic & medicinal chemistry, 13(2), 387-395 (2004-12-16)
The imidazoquinoxalinones 1 and 2 are benzimidazole analogues of indole-based marine natural products called makaluvamins. The stabilized cation 1 and the zwitterion 2 were prepared in approximately 9 steps from readily available starting materials. Compound 1 is more cytostatic and
M Govindarajan et al.
Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy, 89, 137-148 (2012-01-21)
In this work, the vibrational spectral analysis was carried out by using Raman and infrared spectroscopy in the range 100-4000 cm(-1) and 50-4000 cm(-1), respectively, for 4-chloro-3-nitrotoluene (C7H6NO2Cl) molecule. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational

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