2-Chloro-6-nitrotoluene Chemical Properties

Melting point:

34-36 °C (lit.)

Boiling point:

238 °C (lit.)

Density 

1.3246 (rough estimate)

vapor pressure 

2-770Pa at 20-100℃

refractive index 

1.5377 (estimate)

Flash point:

257 °F

storage temp. 

Sealed in dry,Room Temperature

solubility 

0.092g/l

form 

Crystalline

color 

White to Orange to Green

Water Solubility 

92 mg/L (20 ºC)

BRN 

1239924

InChIKey

XCSNRORTQRKCHB-UHFFFAOYSA-N

LogP

3.09

CAS DataBase Reference

83-42-1(CAS DataBase Reference)

NIST Chemistry Reference

Benzene, 1-chloro-2-methyl-3-nitro-(83-42-1)

EPA Substance Registry System

1-Chloro-2-methyl-3-nitrobenzene (83-42-1)

Safety Information

Hazard Codes 

Xn,Xi,N

Risk Statements 

22-36/37/38-20/21/22-52/53

Safety Statements 

36/37/39-26-61

RIDADR 

UN 3457 6.1/PG 3

WGK Germany 

3

RTECS 

XS9130000

Hazard Note 

Irritant

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29039990

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

2-Chloro-6-nitrotoluene Usage And Synthesis

Photodissociation

Photodissociation of 2-chloro-6-nitrotoluene (ClNT) at 193, 248 and 266 nm and nitrocyclopentane (NCP) at 193 nm leads to the formation of OH, as detected by laser-induced fluorescence (LIF). The nascent OH produced from the photolysis of ClNT at all the wavelengths is vibrationally cold, with the Boltzmann type rotational state distributions. However, the nascent OH product from NCP is in the ground, and vibrationally excited states with the measured average relative population in v"= 1 to that in v"= 0 of 0.12 ± 0.03, and these levels are characterized by rotational temperatures of 650 ± 180 K and 1570 ± 90 K, respectively[1].

Chemical Properties

yellow to light brown crystalline mass

Uses

2-Chloro-6-nitrotoluene is used as a reagent in the synthesis of 3-Chloro-2-methylaniline (C367805); a herbicide intermediate.

Production Methods

Chlorination of 2-nitrotoluene, in a process similar to the chlorination of nitrobenzene, gives a mixture of 6-chloro (80 %) and 4-chloro (20 %) isomers. The major component 2-Chloro-6-nitrotoluene is separated by vacuum distillation.

Definition

ChEBI: 2-chloro-6-nitrotoluene is a nitrotoluene that is toluene in which the hydrogens ortho- to the methyl group have been replaced by a chlorine and a nitro group. A low-melting (37 ℃) solid. It is a nitrotoluene, a member of monochlorobenzenes and a volatile organic compound.

References

[1] Monali N. Kawade. “Photodissociation dynamics of 2-chloro-6-nitrotoluene and nitrocyclopentane in gas phase: Laser-induced fluorescence detection of OH.” Chemical Physics 443 (2014): Pages 123-132.

2-Chloro-6-nitrotoluene(83-42-1)Related Product Information

• 2-Chlorotoluene
• DINITROTOLUENE
• Bensulfuron methyl
• 4-Nitrotoluene-2-sulfonic Acid
• METSULFURON METHYL
• Methyl acrylate
• 2-Nitrotoluene
• Methyl cellulose
• 4-Nitrotoluene
• Kresoxim-methyl
• 3-Nitrotoluene
• Methylparaben
• Benzyl chloride
• Methyl
• Difluorochloromethane
• 2,6-Dinitrotoluene
• 2-Chloro-6-nitro-benzoic acid
• 2-CHLORO-6-NITROBENZONITRILE