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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.)

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

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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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
03731KF
09727JW

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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)

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