Methyl 5-nitro-2-furoate

HCID 94882

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Basic information

CAS: 1874-23-3
Standard SMILES: COC(=O)c1ccc([N+](=O)[O-])o1
InChIKey: UTLKCGPAJUYGOM-UHFFFAOYSA-N
Molecular formula: C6H5NO5
Average molar mass: 171.108 g/mol
Monoisotopic mass: 171.01677226

Names & identifiers

Preferred name: Methyl 5-nitro-2-furoate
IUPAC: Methyl 5-nitrofuran-2-carboxylate
English name: Methyl 5-nitro-2-furoate
Molecular formula: C6H5NO5
Molecular weight: 171.11

Names & synonyms

METHYL 5-NITROFURAN-2-CARBOXYLATEmethylnitrofuroateRARECHEM AL BF 0008Methyl nitrofuroatemethyl5-nitrofuroateMethyl 5-nitrofuroatemethyl5-nitropyromucatemethyl5’-nitropyromucateMethyl 5-nitropyromucateMethyl 5-nitro-2-furoate

Database identifiers

CAS: 1874-23-3
PubChem CID: 94882
DTXSID: DTXSID50172049
ChEMBL: CHEMBL120921
ChEBI: CHEBI:189109
UNII: 71QM4E6J90
EC Number: 674-529-6
Nikkaji: J49.606E

Properties

Physicochemical properties

Melting point: 78 · 78-82 °C (lit.)
Boiling point: 301.06 °C · 301.06°C (rough estimate)
Density: 1.6529 · 1.6529 (rough estimate)
refractive index: 1.5423 · 1.5423 (estimate)
storage temp.: 2 · 2-8°C
Appearance: light yellow solid
BRN: 165132 · 165132
InChI: 1S/C6H5NO5/c1-11-6(8)4-2-3-5(12-4)7(9)10/h2-3H,1H3
InChIKey: UTLKCGPAJUYGOM-UHFFFAOYSA-N
SMILES: COC(=O)c1ccc(o1)[N+]([O-])=O
CAS DataBase Reference: 1874 · 1874-23-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 71 QM4E6J90 · 71QM4E6J90
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 8 · GHS08
Signal word: Warning
Hazard statements: 341 · H341
Precautionary statements: 201 · P201-P202-P280-P308+P313-P405-P501a
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26
WGK Germany: 3 · 3
RTECS: 2013000 · LV2013000
Hazard Note: Irritant
HS Code: 29321900 · 29321900
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
rtecs: LV2013000
hs_code: 29321900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS08
hazard_code: Xi
hazard_note: Irritant
safety_code: 37/39-26
Storage Class: 11 - Combustible Solids
Hazard statements: H341
Precautionary statements: P201-P202-P280-P308+P313-P405-P501a

Chemistry & industry

Applications · 2 items

UsesMethyl 5-nitro-2-furoate may be used in the synthesis of 5-nitro-2-furoylhydrazine and 5-nitro-2-furamide.

General DescriptionMethyl 5-nitro-2-furoate is a nitrofuran derivative. Its density, freezing point and refractive index have been evaluated. 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. 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.