3-Methyl-2-nitrophenol

Base Information

• Chemical Name: 3-Methyl-2-nitrophenol
• CAS No.: 4920-77-8
• Molecular Formula: C7H7NO3
• Molecular Weight: 153.137
• Hs Code.: 29071990
• European Community (EC) Number: 225-546-9
• NSC Number: 41206
• UNII: I4QBB2L3C0
• DSSTox Substance ID: DTXSID90197716
• Nikkaji Number: J2.222E
• Wikidata: Q27280440
• Mol file: 4920-77-8.mol

Synonyms:m-Cresol,2-nitro- (7CI,8CI);2-Hydroxy-6-methylnitrobenzene;2-Nitro-3-hydroxytoluene;3-Hydroxy-2-nitrotoluene;2-Nitro-3-methylphenol;2-Nitro-m-cresol;NSC 41206;

Chemical Property of 3-Methyl-2-nitrophenol

Chemical Property:

• Appearance/Colour: Yellow solid
• Vapor Pressure: 0.043mmHg at 25°C
• Melting Point: 35-39 °C(lit.)
• Refractive Index: 1.5744 (estimate)
• Boiling Point: 230.6 °C at 760 mmHg
• PKA: 7.00±0.10(Predicted)
• Flash Point: 107.2 °C
• PSA: 66.05000
• Density: 1.32 g/cm³
• LogP: 2.13200
• Storage Temp.: 0-10°C
• Solubility.: Chloroform (Slightly), Dichloromethane, Methanol (Slightly)
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 153.042593085
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

99% ^*data from raw suppliers

3-Methyl-2-nitrophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37-37/39-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=C(C(=CC=C1)O)[N+](=O)[O-]
• Uses: A nitrophenol derivative as antitumor A nitrophenol derivative as antitumor agent. 3-Methyl-2-nitrophenol was used to investigate the formation of nitrous acid (HONO) in the gas phase in a flow tube photoreactor upon irradiation of ortho-nitrophenols.

Technology Process of 3-Methyl-2-nitrophenol

There total 27 articles about 3-Methyl-2-nitrophenol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 53.0%

3-methyl-phenol (108-39-4) → 2-nitro-5-methylphenol (700-38-9) + 3-methyl-4-nitrophenol (2581-34-2,910311-23-8) + 3-methyl-2-nitrophenol (4920-77-8)

Guidance literature:

With Eu-Mo-modified montmorillonite HKSF; nitric acid; In tetrahydrofuran; at 20 ℃; for 12h;

DOI:10.1016/j.tet.2005.09.027

Reference yield:

2-amino-3-methylphenol (2835-97-4) → 3-methyl-2-nitrophenol (4920-77-8)

Guidance literature:

With α-cyclodextrin with 6,6'''-CO-O-CH2-CO-CH2-O-CO-bridge; dihydrogen peroxide; In phosphate buffer; at 25 ℃; pH=7.0; Further Variations:; Catalysts; Kinetics;

DOI:10.1021/ja054457q

Reference yield:

3-methyl-phenol (108-39-4) → 2-nitro-5-methylphenol (700-38-9) + 3-methyl-2-nitrophenol (4920-77-8)

Guidance literature:

With hydrogenchloride; sodium nitrate; lanthanum(III) nitrate; In diethyl ether; water; 3 to 8h;

DOI:10.1016/S0040-4039(00)85588-4

upstream raw materials:

5-hydroxy-6-nitro-toluene-2,4-disulfonyl chloride

5-methoxy-6-nitro-toluene-2,4-disulfonyl chloride

3-methyl-phenol

2,3-epoxy-3-methylcyclohexanone

Downstream raw materials:

2-amino-3-methylphenol

1-(benzyloxy)-3-methyl-2-nitrobenzene

3-methyl-2-nitro-4,6-bis(pyrrolidin-1'-ylmethyl)phenol

1-methoxy-3-methyl-2-nitro-benzene

Refernces

• 1、 Verma, Sanny,Pandita, Sangeeta,Jain, Suman L.. "Microwave assisted synthesis of nitro phenols from the reaction of phenols with urea nitrate under acid-free conditions". . p. 1320 - 1322. Retrieved 2014/03/21.
• 2、 Betageri, Raj,Gilmore, Thomas,Kuzmich, Daniel,Kirrane, Thomas M.,Bentzien, J?rg,Wiedenmayer, Dieter,Bekkali, Younes,Regan, John,Berry, Angela,Latli, Bachir,Kukulka, Alison J.,Fadra, Tazmeen N.,Nelson, Richard M.,Goldrick, Susan,Zuvela-Jelaska, Ljiljana,Souza, Don,Pelletier, Josephine,Dinallo, Roger,Panzenbeck, Mark,Torcellini, Carol,Lee, Heewon,Pack, Edward,Harcken, Christian,Nabozny, Gerald,Thomson, David S.. "Non-steroidal dissociated glucocorticoid agonists: Indoles as A-ring mimetics and function-regulating pharmacophores". scheme or table. p. 6842 - 6851. Retrieved 2011/12/22.