13565-36-1

Basic information

• Product Name: 1-N-HEPTYLOXY-4-NITROBENZENE
• Synonyms: P-NITROPHENYL HEPTYL ETHER;N-HEPTYL 4-NITROPHENYL ETHER;TIMTEC-BB SBB008246;4-N-HEPTYLOXYNITROBENZENE 98+%;4-Heptyloxy-1-nitrobenzene;Heptyl p-nitrophenyl ether;p-(Heptyloxy)-1-nitrobenzene;1-(Heptyloxy)-4-nitrobenzene
• CAS NO: 13565-36-1
• Molecular Formula: C₁₃H₁₉NO₃
• Molecular Weight: 237.29
• Mol File: 13565-36-1.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 203 °C / 11mmHg
• Flash Point: 140.1 °C
• Appearance: /
• Density: 1.06
• Vapor Pressure: 8.02E-05mmHg at 25°C
• Refractive Index: 1.5310-1.5340
• CAS DataBase Reference: 1-N-HEPTYLOXY-4-NITROBENZENE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-N-HEPTYLOXY-4-NITROBENZENE(13565-36-1)
• EPA Substance Registry System: 1-N-HEPTYLOXY-4-NITROBENZENE(13565-36-1)

Safety Data

• Hazardous Substances Data: 13565-36-1(Hazardous Substances Data)

Usage

General Description

1-N-HEPTYLOXY-4-NITROBENZENE is a chemical compound with the molecular formula C14H21NO3. It is a nitrophenol derivative and contains a nitro group and an alkoxy group. This chemical is commonly used in the synthesis of pharmaceuticals, dyes, and pesticides. It also has potential applications in the field of organic chemistry as a reagent. 1-N-HEPTYLOXY-4-NITROBENZENE is known for its flammable and toxic properties, and proper safety precautions should be taken when handling and storing this compound.

InChI:InChI=1/C13H19NO3/c1-2-3-4-5-6-11-17-13-9-7-12(8-10-13)14(15)16/h7-10H,2-6,11H2,1H3

Upstream product

• 629-04-9 1-Bromoheptane 
• 1124-31-8 potassium 4-nitrophenolate 
• 636-98-6 p-nitrobenzene iodide 
• 111-70-6 n-heptan1ol 
• 98-95-3 nitrobenzene 
• 4368-51-8 tetraheptylammonium bromide 
• 350-46-9 4-Fluoronitrobenzene 
• 100-02-7 4-nitro-phenol 
• 4282-40-0 1-Iodoheptane 

Downstream Products

• 2635-26-9 bis-(4-heptyloxy-phenyl)-diazene N-oxide 
• 1138445-90-5 2-bromo-N-[4-(heptyloxy)phenyl]acetamide 
• 1390650-42-6 1,3-Bis(4-((4-heptyloxyphenylimino)methyl)phenoxy)-propan-2-ol 
• 1390650-41-5 1,3-Bis(3-((4-heptyloxyphenylimino)methyl)phenoxy)-propan-2-ol 
• 1390650-40-4 1,3-Bis(2-((4-heptyloxyphenylimino)methyl)phenoxy)-propan-2-ol 
• 1377324-65-6 C₃₅H₄₄N₄O₅ 
• 880563-54-2 C₁₇H₂₅NO₄ 
• 49798-86-9 3-Ethoxymethyl-4-heptyloxy-phenylamine 
• 31318-01-1 2-Benzyloxymethyl-1-heptyloxy-4-nitro-benzene 
• 31318-00-0 2-Ethoxymethyl-1-heptyloxy-4-nitro-benzene 
• 5804-02-4 1-<4-Amino-2-methoxymethyl-phenoxy>-heptan 
• 5896-93-5 1-<4-Amino-2-hydroxymethyl-phenoxy>-heptan 
• 5806-66-6 1-(2-Methoxymethyl-4-nitro-phenoxy)-heptan 
• 39905-44-7 4-heptyloxyaniline 

Relevant articles and documents

Solvatochromic properties of long alkyl chain π* indicators: Comparison of N/N-dialkyl-4-nitroanilines and alkyl 4-nitrophenyl ethers

Hydrophobic forms of the N/N-dialkyl-4-nitroaniline (DNAP) (p-O 2NC6H4NR2) (1a-f) and alkyl-4-nitrophenyl ether (p-O2NC6H4OR) (2a-c) solvatochromic π* indicators have been charac

Selective Functionalization of Graphene at Defect-Activated Sites by Arylazocarboxylic tert-Butyl Esters

The development of versatile functionalization concepts for graphene is currently in the focus of research. Upon oxo-functionalization of graphite, the full surface of graphene becomes accessible for C?C bond formation to introduce out-of-plane functional

Synthesis, crystal structure and DFT studies of N-[4-(Heptyloxy)phenyl]-4-methylpyrimidin-2-amine

The compound N-[4-(heptyloxy)phenyl]-4-methylpyrimidin-2-amine with the molecular formula C18H25N3O was synthesized and recrystallized from CH3OH. The compound was characterized by 1H NMR, MS, HRMS and X-ray diffraction. The compound crystallized in the monoclinic space group P2(1)/c with a = 9.426 (2), b = 14.434 (3), c = 12.884 (3) ?, α = 90, β = 93.779 (3), γ = 90°, V = 1749.2 (6) ?3, Z = 4 and R = 0.0402 for 1798 observed reflections with I > 2σ(I). Theoretical calculation of the title compound was carried out with B3LYP/6-31G (d, p). The full geometry optimization was carried out using 6-31G (d, p) basis set and the frontier orbital energy. The optimized geometric bond lengths and bond angles obtained by using DFT(B3LYP) show the best agreement with the experimental data.