4-Chloro-2-nitrotoluene Chemical Properties

Melting point:

34-38 °C (lit.)

Boiling point:

239-240 °C/718 mmHg (lit.)

Density 

1.2559

refractive index 

1.5570 (estimate)

Flash point:

>230 °F

storage temp. 

Store below +30°C.

form 

powder to lump to clear liquid

color 

White or Colorless to Yellow

Water Solubility 

109 mg/L (20 ºC)

BRN 

2046651

InChI

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

InChIKey

SQFLFRQWPBEDHM-UHFFFAOYSA-N

SMILES

C1(C)=CC=C(Cl)C=C1[N+]([O-])=O

CAS DataBase Reference

89-59-8(CAS DataBase Reference)

NIST Chemistry Reference

4-Chloro-2-nitrotoluene(89-59-8)

EPA Substance Registry System

Benzene, 4-chloro-1-methyl-2-nitro- (89-59-8)

Safety Information

Hazard Codes 

Xi,Xn,N

Risk Statements 

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

Safety Statements 

26-36-36/37/39-61

RIDADR 

UN 3457 6.1/PG 3

WGK Germany 

2

TSCA 

Yes

HazardClass 

6.1

PackingGroup 

III

HS Code 

29049090

MSDS

• Language:English Provider:4-chloro-1-methyl-2-nitro-benzene
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
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4-Chloro-2-nitrotoluene Usage And Synthesis

Chemical Properties

clear brown liquid after melting

Uses

4-Chloro-1-methyl-2-nitrobenzene is used in the synthesis of NMDA-glycine antagonists. Also it is used in the preparation of COX-2 inhibitor.

Uses

4-Chloro-2-nitrotoluene can be used in the synthesis of indigo dye.

Production Methods

4-Chlorotoluene is nitrated with mixed acid (39/59/2) at 25 ℃ to give a mixture of 4-Chloro-2-nitrotoluene (65 %) and 4-Chloro-3-nitrotoluene (35 %) isomers. The major component is separated as the lower boiling fraction on vacuum distillation. 4-Chloro-3-nitrotoluene [89-60-1] can be obtained, if required, from the residue by distillation and sweating.

Biochem/physiol Actions

4-Chloro-2-nitrotoluene is the starting reagent for synthesis of tricyclic indole-2-carboxylic acids, a potential NMDA-glycine antagonists.

4-Chloro-2-nitrotoluene(89-59-8)Related Product Information

• 2-Nitrotoluene
• Epichlorohydrin
• 3-Nitrotoluene
• 4-Nitrotoluene
• Acetonitrile
• Methanol
• Allylbenzene
• Ethylbenzene
• 4-Chlorotoluene
• Benzene
• Methylparaben
• DINITROTOLUENE
• 6-Chloro-2-Nitrotoluene,>98%,2-CHLORO-6-NITROTOLUENE
• Benzyl chloride
• Methyl acrylate
• 4-Nitrotoluene-2-sulfonic Acid
• Methyl
• Chloroacetic acid