5-Nitrofuroylchlorid

5-Nitrofuroyl chloride

HCID 90711CAS 25084-14-4

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Grundinformationen

Standard-SMILES: O=C(Cl)c1ccc([N+](=O)[O-])o1
InChIKey: OLEFNFXYGGTROA-UHFFFAOYSA-N
Summenformel: C5H2ClNO4
Durchschnittliche Molmasse: 175,52 g/mol
Monoisotopische Masse: 174,96723522

Überblick

See also: Nifurmerone (annotation moved to).

Namen und Bezeichner

Bevorzugter Name: 5-Nitrofuroyl chloride
IUPAC: 5-nitrofuran-2-carbonyl chloride
Lokaler Name: 5-Nitrofuroylchlorid
Englischer Name: 5-Nitro-2-furoyl chloride
Summenformel: C5H2ClNO4
Molmasse: 175.53

Namen und Synonyme

2-Furancarbonyl chloride, 5-nitro-5-Nitrofuroyl chlorideEINECS 246-607-6AI3-23633DTXSID30179778NSC 74620RefChem:537437DTXCID90102269246-607-65-Nitro-2-furoyl chloride25084-14-45-nitrofuran-2-carbonyl chloride

Weitere Namen anzeigen

5-Nitro-2-furancarbonyl chloride5-nitrofuran-2-carboxylic chlorideN-[bis(2-chloroethyl)aminomethyl]-4-methylbenzamide

2-Furoyl chloride, 5-nitro-C5H2ClNO4MFCD00039564SCHEMBL687311CHEMBL4492375-nitrofuran-2-carbonylchloride5-nitro-furan-2-carbonyl chloride5-Nitro-2-furoyl chloride, 95%

Datenbank-Bezeichner

CAS: 25084-14-4
PubChem CID: 90711
DTXSID: DTXSID30179778
EC Number: 246-607-6
Nikkaji: J236.048I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2
Polarare Oberfläche (TPSA): 76 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 189

Physikochemische Eigenschaften

Schmelzpunkt: 34 · 34-41 °C
Siedepunkt: 137 · 137-140°C 15mm
Dichte: 1.588 · 1.588±0.06 g/cm3(Predicted)
Flammpunkt: 137 · 137-140°C/15mm
Aggregatzustand: solid
BRN: 139693 · 139693
InChI: 1S/C5H2ClNO4/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H
InChIKey: OLEFNFXYGGTROA-UHFFFAOYSA-N
SMILES: [O-][N+](=O)c1ccc(o1)C(Cl)=O
CAS Datenbank: 25084 · 25084-14-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 43 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Sicherheitsdaten

wgk: 3
ridadr: 3261
hs_code: 2932190090
risk_code: 34
hazard_code: C
hazard_note: Corrosive
safety_code: 26-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 8A - Combustible corrosive hazardous materials
Hazard Classifications: Eye Dam. 1Skin Corr. 1B

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung5-Nitrofuroyl chloride is a furan chain bound to an acyl and a nitro group. Nitrofuran derivatives have been used as antibiotic and antimicrobial drugs but the acyl group bound to furan (furoyl chloride) is an intermediate for the synthesis of pharmaceuticals (e.g. antibiotics). 5-Nitrofuroyl chloride has been used as a reagent for the synthesis of some compounds with antibacterial properties and other chemicals.

Verwenden5-Nitro-2-furoyl Chloride is used as reactant in the synthesis of several therapeutic agents.