700-38-9

Basic information

• Product Name: 5-Methyl-2-nitrophenol
• Synonyms: 5-methyl-2-nitro-pheno;5-Methyl-2-nitrophenol (3-6);6-nitro-m-creso;Phenol, 5-methyl-2-nitro-;phenol,5-methyl-2-nitro-;3-HYDROXY-4-NITROTOLUENE;3-METHYL-6-NITROPHENOL;5-METHYL-2-NITROPHENOL
• CAS NO: 700-38-9
• Molecular Formula: C₇H₇NO₃
• Molecular Weight: 153.14
• EINECS: 211-843-0
• Product Categories: Aromatic Phenols;Phenoles and thiophenoles
• Mol File: 700-38-9.mol
• Article Data: 39

Chemical Properties

• Melting Point: 53-56 °C(lit.)
• Boiling Point: 266.03°C (rough estimate)
• Flash Point: 229 °F
• Appearance: Yellow to greenish/Crystalline Chunks
• Density: 1.2744 (estimate)
• Vapor Pressure: 0.0122mmHg at 25°C
• Refractive Index: 1.5744 (estimate)
• Storage Temp.: Store below +30°C.
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: pK1:7.41 (25°C,μ=0.1)
• Stability: Hygroscopic
• BRN: 1868030
• CAS DataBase Reference: 5-Methyl-2-nitrophenol(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Methyl-2-nitrophenol(700-38-9)
• EPA Substance Registry System: 5-Methyl-2-nitrophenol(700-38-9)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: 2446
• WGK Germany: 3
• RTECS: SM1130950
• F: 10
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 700-38-9(Hazardous Substances Data)

Usage

Chemical Properties

YELLOW TO GREENISH CRYSTALLINE CHUNKS

Uses

Different sources of media describe the Uses of 700-38-9 differently. You can refer to the following data:
1. 5-Methyl-2-nitrophenol is a general chemical reagent used in the synthesis of antifungal benzoxazine-3-4(H)-one derivatives. Also used in the preparation of Levofloxacin precursors.
2. 5-Methyl-2-nitrophenol was used in the synthesis of 3-methoxy-4-nitrotoluene.

General Description

5-Methyl-2-nitrophenol is a chlorination by-product of butamifos.

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

Upstream product

• 591-09-3 nitro acetate 
• 108-39-4 3-methyl-phenol 
• 7664-93-9 sulfuric acid 
• 7697-37-2 nitric acid 
• 7732-18-5 water 
• 64-19-7 acetic acid 
• 71-43-2 benzene 
• 89-83-8 thymol 
• 89586-13-0 methyl 2-acetoxy-6-methyl-3-nitrobenzoate 
• 2835-98-5 2-Hydroxy-4-methylanilin 
• 7647-01-0 hydrogenchloride 
• 62351-45-5 5-hydroxy-4-nitro-toluene-2-sulfonic acid 
• 50-85-1 2-hydroxy-p-toluic acid 
• 67-66-3 chloroform 

Downstream Products

• 6623-41-2 2-amino-4,5-dimethylphenol 
• 23363-74-8 5,6-dimethyl-2-aminophenol 
• 38512-82-2 3-methoxy-4-nitrotoluene 
• 66424-91-7 5-methyl-2-nitrobenzyl chloride 
• 114157-77-6 trans-2-(5-methyl-2-nitrophenoxy)cyclopentanol 
• 130781-51-0 3-(5-Methyl-2-nitro-phenoxy)-butyric acid 
• 61566-70-9 3-Hexoxy-4-nitrotoluol 
• 452-86-8 4-methyl-1,2-dihydroxybenzene 
• 25755-11-7 2,4-diiodo-3-methyl-6-nitro-phenol 
• 619-14-7 3-hydroxy-4-nitro-benzoic acid 
• 7147-89-9 4-chloro-5-methyl-2-nitrophenol 
• 2835-98-5 2-Hydroxy-4-methylanilin 
• 851190-64-2 2-methyl-2-(5-methyl-2-nitrophenoxy)propionic acid ethyl ester 
• 182913-40-2 Acetic acid 5-bromomethyl-2-nitro-phenyl ester 

Relevant articles and documents

3-(Ethoxycarbonyl)-1-(5-methyl-5-(nitrosooxy)hexyl)pyridin-1-ium cation: A green alternative to tert-butyl nitrite for synthesis of nitro-group-containing arenes and drugs at room temperature

Due to their remarkable properties, task-specific ionic liquids have turned out to be progressively popular over the last few years in the field of green organic synthesis. Herein, for the first time, we report that a new task-specific nitrite-based ionic liquid such as 3-(ethoxycarbonyl)-1-(5-methyl-5-(nitrosooxy)hexyl)pyridin-1-ium bis(trifluoromethanesulfonyl)imides (TS-N-IL) derived from biodegradable ethyl nicotinate indeed acted as an efficient and eco-friendly reagent for the synthesis of highly valuable nitroaromatic compounds and drugs including nitroxynil, tolcapone, niclofolan, flutamide, niclosamide and nitrazepam. The bridging of an ionic liquid with nitrite group not only increases the yield and rate of direct C[sbnd]N bond formation reaction but also allows easy product separation and recyclability of a byproduct. Nonvolatile nature, easy synthesis, merely stoichiometric need and mildness are a portion of the extra focal points of TS-N-IL while contrasted with tert-butyl nitrite an outstanding and highly-flammable reagent utilized largely in organic synthesis.

3-Hydroxyl-4-nitrobenzoic acid and preparation method thereof

The invention aims to provide 3-hydroxyl-4-nitrobenzoic acid and a preparation method thereof. The preparation method includes: subjecting low-price and easily obtainable m-cresol as a raw material to nitration and then oxidation; with H2O2 serving as an oxidant, oxidizing a methyl group into a carboxyl group so as to obtain 3-hydroxyl-4-nitrobenzoic acid. The method has the advantages of low material cost, operation simplicity, low byproduct output, high yield and mild reaction environmental conditions and is suitable for large-scale industrial production.

N-methyl-2-chloropyridinium iodide/NaNO2/Wet SiO2: Neutral reagent system for the nitration of activated aromatic compounds under very mild conditions

Mononitration of activated aromatic compounds using N-methyl-2-chloro-pyridinium iodide (Mukaiyama reagent)/NaNO2/wet SiO2 reagent system under neutral, very mild and environmentally safer reaction condition has been developed. Various structurally diverse aromatic rings are subjected in this condition and the corresponding nitro-aromatic compounds are prepared in moderately high yields.