71608-10-1

Basic information

• Product Name: 3,6-Dimethyl-2-nitrophenol
• Synonyms: 3,6-Dimethyl-2-nitrophenol;2,5-Dimethyl-6-nitrophenol
• CAS NO: 71608-10-1
• Molecular Formula: C₈H₉NO₃
• Molecular Weight: 167.163
• Mol File: 71608-10-1.mol
• Article Data: 5

Chemical Properties

• Melting Point: 34.5°C
• Boiling Point: 285.73°C (rough estimate)
• Flash Point: 107.3 °C
• Appearance: /
• Density: 1.1820 (estimate)
• Vapor Pressure: 0.0148mmHg at 25°C
• Refractive Index: 1.5774 (estimate)
• PKA: 7.34±0.31(Predicted)
• CAS DataBase Reference: 3,6-Dimethyl-2-nitrophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 3,6-Dimethyl-2-nitrophenol(71608-10-1)
• EPA Substance Registry System: 3,6-Dimethyl-2-nitrophenol(71608-10-1)

Safety Data

• Hazardous Substances Data: 71608-10-1(Hazardous Substances Data)

Usage

General Description

3,6-Dimethyl-2-nitrophenol is a chemical compound with the molecular formula C8H9NO3. It is an organic compound that contains a nitro group and a phenolic group, and it is commonly used in the production of dyes and pigments. 3,6-Dimethyl-2-nitrophenol is a yellow crystalline solid that is insoluble in water but soluble in organic solvents. It is also known for its strong odor and is considered to be toxic and harmful if ingested or inhaled. Additionally, 3,6-Dimethyl-2-nitrophenol is a potential environmental contaminant and should be handled and disposed of with care to prevent adverse effects on human health and the environment.

InChI:InChI=1/C8H9NO3/c1-5-3-4-6(2)8(10)7(5)9(11)12/h3-4,10H,1-2H3

Upstream product

• 95-87-4 2,5-Dimethylphenol 
• 77815-16-8 3,6-dimethyl-6-nitrocyclohexa-2,4-dienone 
• 7697-37-2 nitric acid 
• 64-19-7 acetic acid 

Downstream Products

• 17672-23-0 3,6-dimethyl-2-aminophenol 
• 855942-54-0 acetic acid-(3-chloro-6-hydroxy-2,5-dimethyl-anilide) 
• 859782-86-8 2-amino-4-chloro-3,6-dimethyl-phenol 
• 52415-06-2 3-Nitro-2-methoxy-1,4-dimethyl-benzol 

Relevant articles and documents

Nitration of substituted phenols by different efficient heterogeneous systems

Nitration of substituted phenols were carried out by the mixture of sodium nitrite and wet SiO2 (50% w/w) in the presence of four different efficient heterogeneous systems: 1) oxalic acid dihydrate (I), 2) sodium hydrogen sulphate (II), 3) aluminum hydrogen sulphate (III) and 4) silica sulphuric acid (IV) in CH2Cl2 at room temperature and high yields. Optimum conditions for theses systems and the regioselectivities of the reactions are reported.

FORMATION OF DIENONES ON THE REACTION OF CRESOLS, XYLENOLS, AND 2-NAPHTHOL WITH NITROGEN DIOXIDE: OBSERVATION OF KETO TAUTOMERS OF NITROPHENOLS

Reaction of o- and p-cresol, the xylenols, and 2-naphthol with nitrogen dioxide gives nitrocyclohexadienones and nitrophenols.Secondary nitrodienones, the keto tautomers of the nitrophenols, have been observed in several cases and are intermediates in the formation of the nitrophenols.

IPSO NITRATION: NITRATION OF 2-ALKYLPHENOLS IN ACETIC ANHYDRIDE. FORMATION OF 6-ALKYL-6-NITROCYCLOHEXA-2,4-DIENONES

Low temperature nitration of 2-alkylphenols in acetic anhydride gives 6-alkyl-6-nitrocyclohexa-2,4-dienones.The dienones undergo a regiospecific rearrangement to give o-nitrophenols