2,2'-Furoin

Furoin

HCID 11100CAS 552-86-3

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Grundinformationen

Standard-SMILES: O=C(c1ccco1)C(O)c1ccco1
InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N
Summenformel: C10H8O4
Durchschnittliche Molmasse: 192,17 g/mol
Monoisotopische Masse: 192,04225873

Namen und Bezeichner

Bevorzugter Name: Furoin
IUPAC: 1,2-bis(furan-2-yl)-2-hydroxyethanone
Lokaler Name: 2,2'-Furoin
Englischer Name: 2,2'-Furoin
Summenformel: C10H8O4
Molmasse: 192.17

Namen und Synonyme

FUROIN552-86-32,2'-FuroinEthanone, 1,2-di-2-furanyl-2-hydroxy-Furoylfurylcarbinolalpha-Furoin.alpha.-FuroinEthanone, 1,2-di-2-furyl-2-hydroxy-EINECS 209-024-81,2-Di-2-furanyl-2-hydroxyethanoneHSDB 2115UNII-FP41RNB020

Weitere Namen anzeigen

1,2-di(furan-2-yl)-2-hydroxyethan-1-oneFuroin>a,a-FuroinFuroin,98%Furoin 98%alpha-furoi

1,2-Di(2-furyl)-2-hydroxyethanoneNSC 18522Ketone, 2-furyl alpha-hydroxyfurfurylBRN 0383995FP41RNB020Ketone, 2-furyl .alpha.-hydroxyfurfurylAI3-02545FUROIN [HSDB]

Datenbank-Bezeichner

CAS: 552-86-3
PubChem CID: 11100
DTXSID: DTXSID60862181
ChEMBL: CHEMBL364893
UNII: FP41RNB020
EC Number: 209-024-8
Nikkaji: J6.723G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 63,6 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 3
Schwere Atome: 14
Formalladung: 0
Komplexität: 216

Experimentelle und physikochemische Eigenschaften

Color/FormNEEDLES FROM ALCOHOL

SolubilitySLIGHTLY SOL IN HOT WATER, ALCOHOL; SOL IN ETHER, METHANOL, HOT ALCOHOL

Melting Point138-39 °C

Vapor Pressure0.0000249 [mmHg]

Physical DescriptionSolid; [HSDB] Brown powder; [MSDSonline]

Kovats Retention Index1449

Physikochemische Eigenschaften

Schmelzpunkt: 134 · 134-137 °C(lit.)
Siedepunkt: 248.14 °C · 248.14°C (rough estimate)
Dichte: 1.0825 · 1.0825 (rough estimate)
Brechungsindex: 1.444 · 1.4440 (estimate)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: 0.25 g/10 · acetone: soluble0.25g/10 mL, clear, colorless to deep brown-yellow
Aggregatzustand: powder to crystal
pka: 11.62 · 11.62±0.20(Predicted)
Farbe: White to Light yellow to Light orange
BRN: 383995 · 383995
InChI: InChI=1S/C10H8O4/c11-9(7-3-1-5-13-7)10(12)8-4-2-6-14-8/h1-6,9,11H
InChIKey: MIJRFWVFNKQQDK-UHFFFAOYSA-N
SMILES: C(=O)(C1=CC=CO1)C(C1=CC=CO1)O
CAS Datenbank: 552 · 552-86-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · Ethanone, 1,2-di-2-furanyl-2-hydroxy-(552-86-3)
EPA chemische Informationen: 1 · Ethanone, 1,2-di-2-furanyl-2-hydroxy- (552-86-3)

Sicherheit und Regulatorisches

Gefahrenhinweise

Hazards SummaryMay cause irritation; [MSDSonline]

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29329990
RTECS-Nr.: KM5774095
Speicherklasse: 11 - Combustible Solids
Giftige Stoffe Daten: 552-86-3(Hazardous Substances Data)

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationEthanone, 1,2-di-2-furanyl-2-hydroxy-: INACTIVE

Anwendungen

VerwendenFuroin was used as fluorogenic reagent for the selective and sensitive liquid chromatographic determination of various guanidines.

Darstellung · 1 Eintrag

synthetische2,2'-Furoin is prepared by the condensation of furfural with benzoin under the catalysis of potassium cyanide. 8L of water, 3L of ethanol, and 4kg of furfural were heated to 60-70°C on a water bath, and a solution of 200g potassium cyanide dissolved in 600Chemicalbookml of water was slowly added under stirring. The reaction exotherm automatically heated up to 80-90 ° C, and crystals were precipitated later. After standing, filter, wash the crystals with water and methanol until the washing is colorless, and recrystallize with ethanol, which is the finished product of bran coupler.