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About This Item
Empirical Formula (Hill Notation):
C6H5NO5
CAS Number:
Molecular Weight:
171.11
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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Quality Level
Assay
98%
mp
78-82 °C (lit.)
SMILES string
COC(=O)c1ccc(o1)[N+]([O-])=O
InChI
1S/C6H5NO5/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3
InChI key
UTLKCGPAJUYGOM-UHFFFAOYSA-N
General description
Methyl 5-nitro-2-furoate is a nitrofuran derivative. Its density, freezing point and refractive index have been evaluated.[1] The reduction of methyl 5-nitro-2-furoate using milk xanthine oxidase has been reported to form methyl 5-hydroxylamino-2-furoate and methyl 5-amino-2-furoate.[2] The utility of methyl 5-nitro-2-furoate as a matrix compound for matrix assisted ionization vacuum (MAIV) has been assessed using bovine insulin as an analyte.[3]
Storage Class Code
11 - Combustible Solids
WGK
WGK 3
Flash Point(F)
Not applicable
Flash Point(C)
Not applicable
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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Magic matrices for ionization in mass spectrometry.
Trimpin S, et al.
International Journal of Mass Spectrometry, 377, 532-545 (2015)
Yaws CL.
The Yaws Handbook of Physical Properties for Hydrocarbons and Chemicals, 97-97 (2015)
Synthesis and antimicrobial activity of methyl 5-nitro-3,4-diphenylfuran-2-carboxylate and related compounds.
Kuo SC, et al.
Chemical & Pharmaceutical Bulletin, 29(3), 635-645 (1981)
Reduction of methyl 5-nitro-2-furoate by xanthine oxidase: an evidence for hydroxylaminofuran formation.
H Yamada et al.
Chemical & pharmaceutical bulletin, 30(7), 2647-2650 (1982-07-01)
Syntheses with 5-Nitro-2-furonitrile.
Sherman WR and Esch AV.
Journal of Medicinal Chemistry, 8(1), 25-28 (1965)
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