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237361

Sigma-Aldrich

Dimethyl 5-nitroisophthalate

98%

Synonym(s):

Dimethyl 5-nitrobenzene-1,3-dicarboxylate

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About This Item

Linear Formula:
O2NC6H3-1,3-(CO2CH3)2
CAS Number:
13290-96-5
Molecular Weight:
239.18
Beilstein:
2140916
EC Number:
236-307-3
MDL number:
MFCD00008429
UNSPSC Code:
12352100
PubChem Substance ID:
24854242
NACRES:
NA.22

Assay

98%

form

solid

mp

123-125 °C (lit.)

SMILES string

COC(=O)c1cc(cc(c1)[N+]([O-])=O)C(=O)OC

InChI

1S/C10H9NO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5H,1-2H3

InChI key

GGTSJKFPGKFLCZ-UHFFFAOYSA-N

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Application

Dimethyl 5-nitroisophthalate has been used as starting reagent in the synthesis of 5-nitro-1,3-bis(ethylenediamine) and 5-nitroisophthaldihydrazide.

Storage Class Code

11 - Combustible Solids

WGK

WGK 2

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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229. An attempted synthesis of perhydro-2: 8-methylenepyridocoline.
Jennings KF.
Journal of the Chemical Society, 1172-1175 (1957)
Puja Panwar et al.
Bioorganic & medicinal chemistry, 15(2), 1138-1145 (2006-11-08)
The tetraphosphonate ligand, 5-amino-1,3-bis(ethylamine-(N,N-dimethyl diphosphonic acid) acetamido) benzene (IPTMP) used in the present study was prepared from 5-nitroisophthalate dimethylester to label with radionuclide for targeted diagnosis and therapy. The synthesized multidentate phosphonate ligand was characterized on the basis of spectroscopic

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