Ethyl 2-bromo-3-nitrobenzoate

Base Information

• Chemical Name: Ethyl 2-bromo-3-nitrobenzoate
• CAS No.: 31706-23-7
• Molecular Formula: C9H8BrNO4
• Molecular Weight: 274.07
• Hs Code.: 2916399090
• DSSTox Substance ID: DTXSID70395652
• Nikkaji Number: J2.780.356C
• Wikidata: Q72473300
• Mol file: 31706-23-7.mol

Synonyms:Ethyl 2-bromo-3-nitrobenzoate;31706-23-7;2-Bromo-3-nitro-benzoic acid ethyl ester;Benzoic acid, 2-bromo-3-nitro-, ethyl ester;SCHEMBL2977262;DTXSID70395652;WTNZOABLVURCTP-UHFFFAOYSA-N;CL8511;MFCD00024177;AKOS015889956;AM82975;SB36551;2-Bromo-3-nitrobenzoic acid ethyl ester;AS-46039;CS-0138968;FT-0638987;A23082;A930010

Chemical Property of Ethyl 2-bromo-3-nitrobenzoate

Chemical Property:

• Vapor Pressure: 0.000463mmHg at 25°C
• Melting Point: 38 °C
• Refractive Index: 1.576
• Boiling Point: 314.5 °C at 760 mmHg
• Flash Point: 144 °C
• PSA: 72.12000
• Density: 1.594 g/cm³
• LogP: 3.05720
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 272.96367
• Heavy Atom Count: 15
• Complexity: 253

Purity/Quality:

98%min ^*data from raw suppliers

Ethyl2-bromo-3-nitrobenzoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C1=C(C(=CC=C1)[N+](=O)[O-])Br

Technology Process of Ethyl 2-bromo-3-nitrobenzoate

There total 2 articles about Ethyl 2-bromo-3-nitrobenzoate 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:

ethanol (64-17-5) + 2-bromo-3-nitro-benzoic acid (573-54-6) → ethyl 2-bromo-3-nitrobenzoate (31706-23-7)

Guidance literature:

With sulfuric acid; for 12h; Reflux;

DOI:10.1002/cbdv.201900659

Reference yield:

→ ethyl 2-bromo-3-nitrobenzoate (31706-23-7)

Guidance literature:

entspr.Saeure, EtOH, HCl;

Reference yield: 84.0%

ethyl 2-bromo-3-nitrobenzoate (31706-23-7) → 7-nitro-1H-indazol-3-ol (31775-97-0)

Guidance literature:

With hydrazine; In ethanol; for 3h; Heating;

DOI:10.1002/hlca.200900119

upstream raw materials:

ethanol

2-bromo-3-nitro-benzoic acid

Downstream raw materials:

ethyl 3-nitro-2-(trimethylsilylethynyl)benzoate

ethyl indole-4-carboxylate

4-(2-methoxycarbonyl-6-nitro-phenyl)-piperazine-1-carboxylic acid tert-butyl ester

7-nitro-1H-indazol-3-ol

Refernces