1420-07-1

Basic information

• Product Name: 2,4-Dinitro-6-tert-butylphenol
• Synonyms: Phenol,2-tert-butyl-4,6-dinitro- (6CI,7CI,8CI); 2,4-Dinitro-6-tert-butylphenol;2-tert-Butyl-4,6-dinitrophenol; 4,6-Dinitro-2-tert-butylphenol; DNTBP;Dinoterb; Dinoterbe; Herbogil; NSC 166496; Stirpan Forte; Veraline Creme
• CAS NO: 1420-07-1
• Molecular Formula: C₁₀H₁₂N₂O₅
• Molecular Weight: 240.24
• EINECS: 215-813-8
• Mol File: 1420-07-1.mol
• Article Data: 6

Chemical Properties

• Melting Point: 125.5-126.5℃
• Boiling Point: 304.2 °C at 760 mmHg
• Flash Point: 125 °C
• Appearance: /
• Density: 1.347 g/cm³
• Vapor Pressure: 0.000493mmHg at 25°C
• Refractive Index: 1.583
• Water Solubility: 4.5 mg l-1
• CAS DataBase Reference: 2,4-Dinitro-6-tert-butylphenol(CAS DataBase Reference)
• NIST Chemistry Reference: 2,4-Dinitro-6-tert-butylphenol(1420-07-1)
• EPA Substance Registry System: 2,4-Dinitro-6-tert-butylphenol(1420-07-1)

Safety Data

• Hazardous Substances Data: 1420-07-1(Hazardous Substances Data)

Usage

InChI:InChI=1/C10H12N2O5/c1-10(2,3)7-4-6(11(14)15)5-8(9(7)13)12(16)17/h4-5,13H,1-3H3

Upstream product

• 128-39-2 2,6-di-tert-butylphenol 
• 728-40-5 4-nitro-2,6-di-tert-butylphenol 
• 100-02-7 4-nitro-phenol 
• 20039-94-5 2,4-di-tert-butyl-6-nitrophenol 
• 96-76-4 2,4-di-tert-Butylphenol 
• 7697-37-2 nitric acid 
• 64-19-7 acetic acid 
• 732-26-3 2,4,6-tri-tert-butylphenoxol 
• 7664-93-9 sulfuric acid 
• 94037-78-2 2,6-di-tert-butyl-4,6-dinitrocyclohexa-2,4-dienone 
• 94037-79-3 2,4-di-tert-butyl-4,6-dinitrocyclohexa-2,5-dienone 
• 1421-49-4 3,5-Di-tert-butyl-4-hydroxybenzoic acid 
• 88-18-6 2-tert-Butylphenol 
• 6683-81-4 2-tert-butyl-4-nitrophenol 

Downstream Products

• 6099-80-5 2-tert-butyl-4,6-dinitro-anisole 
• 141990-33-2 2-tert-butyl-4,6-dinitrophenyl 2,3,4,6-tetra-O-acetyl-β-D-galctopyranoside 
• 141990-32-1 2-tert-butyl-4,6-dinitrophenyl 2,3,4,6-tetra-O-acetyl-β-D-glucopyranoside 
• 719298-32-5 2-tert-butyl-4,6-dinitro-aniline 
• 874522-73-3 2-bromo-1-tert-butyl-3,5-dinitro-benzene 
• 141990-50-3 2-tert-butyl-4,6-dinitrophenyl α-D-galactopyranoside 
• 141990-35-4 2-tert-4,6-dinitrophenyl β-D-galactopyranoside 
• 141990-34-3 2-tert-butyl-4,6-dinitrophenyl β-D-glucopyranoside 
• 141990-37-6 2-tert-butyl-4,6-dinitrophenyl 2,3,4,6-tetra-O-chloroacetyl-β-D-galactopyranoside 
• 141990-48-9 2-tert-butyl-4,6-dinitrophenyl 2,3,4,6-tetra-O-chloroacetyl-α-D-galactopyranoside 
• 141990-36-5 2-tert-butyl-4,6-dinitrophenyl-2,3,4,6-tetra-O-chloroacetyl-β-D-glucopyranoside 
• 141990-47-8 2-tert-butyl-4,6-dinitrophenyl 2,3,4,6-tetra-O-chloroacetyl-α-D-glucopyranoside 
• 29516-72-1 1-tert-Butyl-2-(4-chloro-benzyloxy)-3,5-dinitro-benzene 

Relevant articles and documents

Synthesis and antimicrobial evaluation of new 2-substituted 5,7-di-tert-butylbenzoxazoles

Various synthetic pathways of the 30 novel 2-substituted 5,7-di-tert-butylbenzoxazoles as new potential antimicrobial drugs are discussed. The 28 intermediates are described as well. The compounds were characterized by 1H and 13C NMR spectra, MS spectra, IR/UV spectra and by means of CHN analysis. The purity of the final compounds was checked by HPLC and their lipophilicity (log K) was also determined by means of RP-HPLC. In the present study, the correlation between RP-HPLC retention parameter log K (the logarithm of capacity factor K) and various calculated log P data is shown. The target compounds were tested for their in vitro antimycobacterial activity. Several compounds showed antituberculotic activity comparable with or higher than the standard isoniazide. In vitro cytotoxicity testing of the most active benzoxazoles and isoniazide as a reference drug was performed using MTT assay and compared with isoniazide as a reference drug. Structure-activity relationships among the chemical structures, the physical properties and the biological activities of the evaluated compounds are discussed in the article.

Reactions of 2-t-Butyl-4,6-dimethylphenol, 2,4-Di-t-butyl-6-methylphenol and 2,4,6-Tri-t-butylphenol with Nitrogen Dioxide

Reaction of 2-t-butyl-4,6-dimethylphenol (10) with nitrogen dioxide in benzene gives the C4-epimeric 4,5,6-trinitrocyclohex-2-enones (13) and (14).In contrast, similar reaction of 2,4-di-t-butyl-6-methylphenol (11) gives substituted cyclohex-3-enones, 2,5,6-trinitro ketones (20)-(23), 2-hydroxy-5,6-dinitro ketones (27) and (28) and the 6-hydroxy-2,5-dinitro ketone (29).Reaction of 2,4,6-tri-t-butylphenol (12) with nitrogen dioxide gives initially the 4-nitro dienone (35), but de-t-butylated products (36) and (37) are formed in long-term reactions.X-ray crystal structures are reported for compounds (13), (14), (21), (22), (23), (27), (28)and (29).