Methyl 4-amino-3-bromo-5-nitrobenzoate

Base Information

Chemical Name:Methyl 4-amino-3-bromo-5-nitrobenzoate
CAS No.:105655-17-2
Molecular Formula:C8H7BrN2O4
Molecular Weight:275.059
Hs Code.:2922499990
DSSTox Substance ID:DTXSID20546718
Nikkaji Number:J2.391.475A
Wikidata:Q82424622
Mol file:105655-17-2.mol

Synonyms:Methyl 4-amino-3-bromo-5-nitrobenzoate;105655-17-2;Methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate;Benzoic acid, 4-amino-3-bromo-5-nitro-, methyl ester;MFCD08443938;Methyl4-amino-3-bromo-5-nitrobenzoate;SCHEMBL443612;DTXSID20546718;PRTLMEWWYBJZPN-UHFFFAOYSA-N;AKOS005069349;SY229589;CS-0030201;D72559;EN300-208654;4-Amino-3-bromo-5-nitrobenzoic acid methyl ester;A902000;10Y-0604;4-Amino-3-bromo-5-nitro-benzoic acid methyl ester;J-522293

Suppliers and Price of Methyl 4-amino-3-bromo-5-nitrobenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Methyl4-Amino-3-bromo-5-nitrobenzoate
100mg
$ 60.00

SynQuest Laboratories
Methyl 4-amino-3-bromo-5-nitrobenzoate
1 g
$ 23.00

SynQuest Laboratories
Methyl 4-amino-3-bromo-5-nitrobenzoate
5 g
$ 92.00

SynQuest Laboratories
Methyl 4-amino-3-bromo-5-nitrobenzoate
25 g
$ 365.00

Matrix Scientific
Methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate >95%
1g
$ 228.00

Matrix Scientific
Methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate >95%
500mg
$ 181.00

Matrix Scientific
Methyl 4-amino-3-bromo-5-nitrobenzenecarboxylate >95%
5g
$ 524.00

Crysdot
Methyl4-amino-3-bromo-5-nitrobenzoate 95+%
10g
$ 377.00

Apolloscientific
Methyl4-amino-3-bromo-5-nitrobenzoate
25g
$ 331.00

Apolloscientific
Methyl4-amino-3-bromo-5-nitrobenzoate
5g
$ 83.00

Total 16 raw suppliers

Chemical Property of Methyl 4-amino-3-bromo-5-nitrobenzoate

Chemical Property:

Melting Point:107-109℃
Boiling Point:408.5±40.0 °C(Predicted)
PKA:-4.79±0.25(Predicted)
PSA：98.14000
Density:1.744±0.06 g/cm3(Predicted)
LogP:2.83050
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:273.95892
Heavy Atom Count:15
Complexity:268

Purity/Quality:

99%, ^*data from raw suppliers

Methyl4-Amino-3-bromo-5-nitrobenzoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of Methyl 4-amino-3-bromo-5-nitrobenzoate

There total 3 articles about Methyl 4-amino-3-bromo-5-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: 100.0%

: 3987-92-6
methyl 4-amino-3-nitrobenzoate

: 105655-17-2
methyl 4-amino-3-bromo-5-nitrobenzoate

Guidance literature:: With bromine; In dichloromethane; Heating;
DOI:10.1055/s-2005-921917

Reference yield:

: 556651-33-3
3-bromo-4-amino-5-nitro-benzoic acid

: 18107-18-1
diazomethyl-trimethyl-silane

: 105655-17-2
methyl 4-amino-3-bromo-5-nitrobenzoate

Guidance literature:: In methanol; dichloromethane; at 0 - 25 ℃;

Reference yield:

: 1588-83-6
4-amino-3-nitrobenzoic acid

: 105655-17-2
methyl 4-amino-3-bromo-5-nitrobenzoate

Guidance literature:: Multi-step reaction with 2 steps

1: SOCl₂ / 16 h / Heating

2: Br₂ / CH₂Cl₂ / 3 h / Heating

With thionyl chloride; bromine; In dichloromethane;
DOI:10.1055/s-2006-950223