4-Chloro-2-nitrotoluene Property

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

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

Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Signal word

Warning

Hazard statements

H302Harmful if swallowed

H312Harmful in contact with skin

H315Causes skin irritation

H319Causes serious eye irritation

H331Toxic if inhaled

H373May cause damage to organs through prolonged or repeated exposure

H401Toxic to aquatic life

H411Toxic to aquatic life with long lasting effects

Precautionary statements

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

P501Dispose of contents/container to..…

4-Chloro-2-nitrotoluene Chemical Properties,Usage,Production

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.