2-Furohydrazid

2-Furancarboxylic acid, hydrazide

HCID 18731CAS 3326-71-4

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Grundinformationen

Standard-SMILES: NNC(=O)c1ccco1
InChIKey: SKTSVWWOAIAIKI-UHFFFAOYSA-N
Summenformel: C5H6N2O2
Durchschnittliche Molmasse: 126,11 g/mol
Monoisotopische Masse: 126,04292743

Namen und Bezeichner

Bevorzugter Name: 2-Furancarboxylic acid, hydrazide
IUPAC: furan-2-carbohydrazide
Lokaler Name: 2-Furohydrazid
Englischer Name: Furan-2-carbohydrazide
Summenformel: C5H6N2O2
Molmasse: 126.11

Namen und Synonyme

3326-71-42-Furoic acid hydrazide2-Furancarboxylic acid, hydrazideDTXSID10186900RefChem:472793DTXCID10109391222-046-2furan-2-carbohydrazide2-Furoic hydrazide2-FurohydrazideFuroylhydrazide2-furancarboxylic acid hydrazide

Weitere Namen anzeigen

AKOS BBS-00004105SPECS AN-068/40170015pyromucicacidhydrazide2-Furoic hydrazide 98%

2-Furancarbohydrazide2-FuroylhydrazideMFCD00003235Furoic acid, hydrazide2-Furylcarbonylhydrazide2-Furancarbohydrazonic acid2-FUROIC ACID, HYDRAZIDEPyromucic acid hydrazide

Datenbank-Bezeichner

CAS: 3326-71-4
PubChem CID: 18731
DTXSID: DTXSID10186900
ChEMBL: CHEMBL340492
UNII: PN5GP9E5FT
EC Number: 222-046-2
Nikkaji: J1.821J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,5
Polarare Oberfläche (TPSA): 68,3 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 116

Physikochemische Eigenschaften

Schmelzpunkt: 77 · 77-79 °C (lit.)
Siedepunkt: 279 °C · 279°C(lit.)
Dichte: 1.3541 · 1.3541 (rough estimate)
Brechungsindex: 1.509 · 1.5090 (estimate)
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Löslichkeit: soluble in Methanol
Aggregatzustand: Crystals
pka: 12.18 · 12.18±0.10(Predicted)
Farbe: Beige
BRN: 114435 · 114435
InChI: InChI=1S/C5H6N2O2/c6-7-5(8)4-2-1-3-9-4/h1-3H,6H2,(H,7,8)
InChIKey: SKTSVWWOAIAIKI-UHFFFAOYSA-N
SMILES: O1C=CC=C1C(NN)=O
CAS Datenbank: 3326 · 3326-71-4(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (87.5%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 8 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (87.5%)

Sicherheitsdaten

wgk: 3
hs_code: 29321900
RTECS-Nr.: LV1925000
risk_code: 36/37/38-20/21/22
hazard_code: Xn
safety_code: 22-24/25-36/37/39-26
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden2-Furoic hydrazide (2-Furoylhydrazine) was used to study the Fourier transform infrared spectra, 1H NMR and 13C NMR spectra. It was also used as a reagent for determination of carbohydrates.