2-Methyl-4-nitrophenol Chemical Properties

Melting point:

93-98 °C(lit.)

Boiling point:

266.03°C (rough estimate)

Density 

1.2744 (estimate)

refractive index 

1.5744 (estimate)

storage temp. 

Inert atmosphere,Room Temperature

form 

Solid

pka

7.43±0.22(Predicted)

color 

Off-White

InChI

InChI=1S/C7H7NO3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,9H,1H3

InChIKey

KDQPMQNHVQVVMR-UHFFFAOYSA-N

SMILES

C1(O)=CC=C([N+]([O-])=O)C=C1C

CAS DataBase Reference

99-53-6(CAS DataBase Reference)

EPA Substance Registry System

Phenol, 2-methyl-4-nitro- (99-53-6)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-36/37/38

Safety Statements 

26-36

RIDADR 

UN 2446 6.1/PG 3

WGK Germany 

3

RTECS 

GP2700000

Hazard Note 

Irritant

HazardClass 

6.1

PackingGroup 

III

HS Code 

2908990000

Toxicity

LD50 oral(mouse) 390 mg/kg

MSDS

• Language:English Provider:SigmaAldrich

2-Methyl-4-nitrophenol Usage And Synthesis

Chemical Properties

white crystals

Uses

2-Methyl-4-nitrophenol is suitable as a target compound in the study on measurement of methylnitrophenol concentrations and stable isotope ratios in the atmospheric particulate matter and as an internal standard in the determination of monoaromatic nitro compounds in atmospheric aerosols using high performance liquid chromatography electrospray tandem mass spectrometry (HPLC/ESI-MS/MS) method.
It may be used as starting material in the synthesis of 2-bromo-4-nitro-6-methylphenol.

Preparation

2-methyl-4-nitrophenol is prepared by the reaction of 2-methyl-4-nitroaniline with sodium hydroxide and hydrochloric acid.

General Description

2-Methyl-4-nitrophenol is a nitrophenol derivative. The study of its crystal structure reveals the molecule to be nearly planar. Its synthesis has been reported. FT-IR and FT-Raman spectra and molecular modeling of 2-methyl-4-nitrophenol have been analyzed. It is reported to be one of the compounds in diesel exhaust particles (DEP) that shows potential vasodilatation activity in rats. Its reduction catalyzed by porous carbon-encapsulated gold nanoparticles has been investigated.

2-Methyl-4-nitrophenol(99-53-6)Related Product Information

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• 2-CHLOROMETHYL-4-NITROPHENOL
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