1-(2-Bromoethoxy)-3-nitrobenzene

Base Information

• Chemical Name: 1-(2-Bromoethoxy)-3-nitrobenzene
• CAS No.: 13831-59-9
• Molecular Formula: C8H8BrNO3
• Molecular Weight: 246.06
• Hs Code.: 29093038
• NSC Number: 111064
• DSSTox Substance ID: DTXSID10296694
• Nikkaji Number: J708.409I
• Wikidata: Q82037402
• Mol file: 13831-59-9.mol

Synonyms:1-(2-bromoethoxy)-3-nitrobenzene;13831-59-9;MFCD07783648;NSC111064;Benzene,1-(2-bromoethoxy)-3-nitro-;SCHEMBL1025947;DTXSID10296694;QBUSKXLDUNPEMZ-UHFFFAOYSA-N;AKOS000169211;NSC-111064;Benzene, 1-(2-bromoethoxy)-3-nitro-;CS-0206531;FT-0680170;EN300-40886;1W-0640;W-205514;Z285922252

Chemical Property of 1-(2-Bromoethoxy)-3-nitrobenzene

Chemical Property:

• Appearance/Colour: Yellowish-green or brown low melting solid
• Vapor Pressure: 0.000147mmHg at 25°C
• Melting Point: 39 °C
• Refractive Index: 1.583-1.585
• Boiling Point: 342.6 °C at 760 mmHg
• Flash Point: 161 °C
• PSA: 55.05000
• Density: 1.587g/cm³
• LogP: 2.89170
• Storage Temp.: 2-8°C
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 244.96876
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98%min ^*data from raw suppliers

1-(2-Bromoethoxy)-3-nitrobenzene ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)OCCBr)[N+](=O)[O-]

Technology Process of 1-(2-Bromoethoxy)-3-nitrobenzene

There total 4 articles about 1-(2-Bromoethoxy)-3-nitrobenzene 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: 71.0%

meta-nitrophenol (554-84-7) + 2-bromoethanol (540-51-2) → 2-(3-nitrophenoxy)bromoethane (13831-59-9)

Guidance literature:

With di-isopropyl azodicarboxylate; triphenylphosphine; In tetrahydrofuran; toluene; at 0 - 20 ℃; Inert atmosphere;

DOI:10.1002/chem.200902123

Reference yield: 52.0%

meta-nitrophenol (554-84-7) + ethylene dibromide (106-93-4) → 2-(3-nitrophenoxy)bromoethane (13831-59-9)

Guidance literature:

DOI:10.1016/S0040-4020(01)91127-5

Reference yield:

sodium 3-nitrophenoxide (3019-85-0) + ethylene dibromide (106-93-4) → 2-(3-nitrophenoxy)bromoethane (13831-59-9)

Guidance literature:

With ethanol;

upstream raw materials:

meta-nitrophenol

ethylene dibromide

sodium 3-nitrophenoxide

2-bromoethanol

Downstream raw materials:

N-<2-(3-Nitrophenyloxy)-ethyl>-cyclopropylamin

Methyl-[2-(3-nitro-phenoxy)-ethyl]-[2-(4-nitro-phenyl)-ethyl]-amine

N,N-diethyl-1-(3-nitrophenoxy)aminoethane

C₁₉H₃₀N₂O₆

Refernces

• 1、 -. "Diphenoxyl flexible molecules with high affinity with A[beta] plaque and preparation method and applications thereof". Paragraph 0073; 0074; 0077; 0078. . Retrieved 2017/12/09.
• 2、 Hashim,Thomas, Reji,Tamaoki, Nobuyuki. "Induction of molecular chirality by circularly polarized light in cyclic azobenzene with a photoswitchable benzene rotor". experimental part. p. 7304 - 7312. Retrieved 2011/08/05.