cis-Tetrahydrofuran-3,4-diol

1,4-Anhydroerythritol

HCID 641773

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Grundinformationen

CAS: 4358-64-9
Standard-SMILES: O[C@@H]1COC[C@@H]1O
InChIKey: SSYDTHANSGMJTP-ZXZARUISSA-N
Summenformel: C4H8O3
Durchschnittliche Molmasse: 104,1 g/mol
Monoisotopische Masse: 104,04734411

Namen und Bezeichner

Bevorzugter Name: 1,4-Anhydroerythritol
IUPAC: (3R,4S)-oxolane-3,4-diol
Lokaler Name: cis-Tetrahydrofuran-3,4-diol
Englischer Name: 1,4-Anhydroerythritol
Summenformel: C4H8O3
Molmasse: 104.1

Namen und Synonyme

1,4-AnhydroerythritolRefChem:3397414358-64-9cis-Tetrahydrofuran-3,4-diol(3R,4S)-tetrahydrofuran-3,4-diolErythritan(3R,4S)-oxolane-3,4-diol1,4-Anhydro-D-erythritolMFCD00075210cis-3,4-DihydroxytetrahydrofuranSCHEMBL196429(3R, 4S)-tetrahydrofuran-3,4-diol

Weitere Namen anzeigen

L-THREITANCPD0058-SMMeso-3,4-Dihydroxolane-3,4-diolanhydroerythritol4-Anhydroerythritol

AKOS016011113(3~{S},4~{R})-oxolane-3,4-diolAS-33974(3S,4R)-Tetrahydrofuran-3,4-diolCS-0049648IJ8cis-Oxolane-3,4-diolcis-3,4-Dihydroxyoxolane

Datenbank-Bezeichner

CAS: 4358-64-9
PubChem CID: 641773
DTXSID: DTXSID401318325
EC Number: 224-433-1
Nikkaji: J205.737I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,4
Polarare Oberfläche (TPSA): 49,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 7
Formalladung: 0
Komplexität: 56

Physikochemische Eigenschaften

Schmelzpunkt: 173 · 173-174 °C
Siedepunkt: 160 · 160-165 °C(Press: 0.17 Torr)
Dichte: 1.27 g/mL · 1.27 g/mL at 25 °C (lit.)
Brechungsindex: 20 · n20/D 1.477(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: powder to lump to clear liquid
pka: 13.66 · 13.66±0.40(Predicted)
Farbe: White or Colorless to Almost white or Almost colorless
InChI: InChI=1/C4H8O3/c5-3-1-7-2-4(3)6/h3-6H,1-2H2/t3-,4+
InChIKey: SSYDTHANSGMJTP-ZXZARUISNA-N
SMILES: O1C[C@H](O)[C@H](O)C1 |&1:2,4,r|

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.

Warning

H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (50%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 1 of 2 reports by companies.；There is 1 notification provided by 1 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (50%)；Eye Irrit. 2A (50%)；STOT SE 3 (50%)

Sicherheitsdaten

wgk: 3
hs_code: 2932190090
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1,4-Anhydroerythritol is a tetrahydrofuran derivative used as a heterocyclic building block in epoxy resins and other polymers. 1,4-Anhydroerythritol is also used in the preparation of nucleotide anal ogs as potential antiviral and anticancer agents.