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Merck
CN

237361

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:
Molecular Weight:
239.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
236-307-3
Beilstein/REAXYS Number:
2140916
MDL number:
Assay:
98%
Form:
solid
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assay

98%

form

solid

mp

123-125 °C (lit.)

functional group

ester, nitro

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

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

11 - Combustible Solids

wgk

WGK 2

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

Regulatory Information

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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
229. An attempted synthesis of perhydro-2: 8-methylenepyridocoline.
Jennings KF.
Journal of the Chemical Society, 1172-1175 (1957)



Global Trade Item Number

SKUGTIN
237361-25G04061831819212