2,3-Dihydroxybenzaldehyd

2,3-Dihydroxybenzaldehyde

HCID 90579CAS 24677-78-9

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Grundinformationen

Standard-SMILES: O=Cc1cccc(O)c1O
InChIKey: IXWOUPGDGMCKGT-UHFFFAOYSA-N
Summenformel: C7H6O3
Durchschnittliche Molmasse: 138,12 g/mol
Monoisotopische Masse: 138,03169405

Überblick

2,3-dihydroxybenzaldehyde is a dihydroxybenzaldehyde.

Namen und Bezeichner

Bevorzugter Name: 2,3-Dihydroxybenzaldehyde
IUPAC: 2,3-dihydroxybenzaldehyde
Lokaler Name: 2,3-Dihydroxybenzaldehyd
Englischer Name: 2,3-Dihydroxybenzaldehyde
Summenformel: C7H6O3
Molmasse: 138.12

Namen und Synonyme

2,3-Dihydroxybenzaldehyde24677-78-9o-Pyrocatechualdehyde5,6-DihydroxybenzaldehydeGP9HDE43LENSC-146456CHEBI:50197DTXSID90179411RefChem:81763DTXCID20101902246-398-1Benzaldehyde, 2,3-dihydroxy-

Weitere Namen anzeigen

3-FormylcatecholTIMTEC-BB SBB0041902,3-DihydroxybenzaL2,3-Dihydroxybenzald2,3-Dihydroxybenealdehyde

MFCD000033243-Formyl-1,2-benzenediol1,2-Dihydroxy-3-formylbenzeneBenzaldehyde, dihydroxy-dihydroxybenzaldehydeEINECS 246-398-1NSC 1464563-hydroxysalicylaldehyde

Datenbank-Bezeichner

CAS: 24677-78-9
PubChem CID: 90579
DTXSID: DTXSID90179411
ChEMBL: CHEMBL491995
ChEBI: CHEBI:50197
UNII: GP9HDE43LE
EC Number: 246-398-1
Nikkaji: J88.291G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,5
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 124

Physikochemische Eigenschaften

Schmelzpunkt: 104 · 104-108 °C (lit.)
Siedepunkt: 120 °C · 120 °C / 16mmHg
Dichte: 1 · 1,542g/cm
Brechungsindex: 1.46 · 1.4600 (estimate)
storage temp.: 2 · Inert atmosphere,2-8°C
Löslichkeit: 95 % · 95% ethanol: soluble50mg/mL, clear, colorless to greenish-yellow
Aggregatzustand: Crystalline Powder
pka: 8.01 · 8.01±0.10(Predicted)
Farbe: Light yellow to beige-greenish
BRN: 2041781 · 2041781
InChI: 1S/C7H6O3/c8-4-5-2-1-3-6(9)7(5)10/h1-4,9-10H
InChIKey: IXWOUPGDGMCKGT-UHFFFAOYSA-N
SMILES: [H]C(=O)c1cccc(O)c1O
LogP: 1.325 · 1.325 (est)
CAS Datenbank: 24677 · 24677-78-9(CAS DataBase Reference)
NIST chemische Informationen: 2 · 2,3-Dihydroxybenzaldehyde(24677-78-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/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 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

F: 10-23
wgk: 3
hs_code: 29124900
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

Verwenden2,3-Dihydroxybenzaldehyde was used in the synthesis of copper(II) complexes of Schiff bases. It was also used in the synthesis of 2-ethoxy-3-hydroxy-4-nitrobenzoic acid.