3,5-Dihydroxybenzaldehyd

3,5-Dihydroxybenzaldehyde

HCID 94365CAS 26153-38-8

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Grundinformationen

Standard-SMILES: O=Cc1cc(O)cc(O)c1
InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N
Summenformel: C7H6O3
Durchschnittliche Molmasse: 138,12 g/mol
Monoisotopische Masse: 138,03169405

Überblick

3,5-dihydroxybenzaldehyde is a dihydroxybenzaldehyde.

Namen und Bezeichner

Bevorzugter Name: 3,5-Dihydroxybenzaldehyde
IUPAC: 3,5-dihydroxybenzaldehyde
Lokaler Name: 3,5-Dihydroxybenzaldehyd
Englischer Name: 3,5-Dihydroxybenzaldehyde
Summenformel: C7H6O3
Molmasse: 138.12

Namen und Synonyme

3,5-Dihydroxybenzaldehyde26153-38-8Benzaldehyde, 3,5-dihydroxy-EINECS 247-479-4DTXSID60180776.alpha.-Resorcylic aldehydeCHEBI:50204RefChem:91543alpha-Resorcylic aldehydeDTXCID00103267247-479-4HAQLHRYUDBKTJG-UHFFFAOYSA-N

Weitere Namen anzeigen

yde3,5-DihydroxybenzaLTerbutaline Impurity 433,5-DIHYDOXYBENZAL DEHYDE3,5-2-hydroxybenzaldehyde3,5-Dihydroxybenzaldehyde,98%3,5-Dihydroxybenzaldehyde 98%

InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10MFCD000166113,5-dihydroxy benzaldehydeSCHEMBL37131AKOS005258327CS-W007416AS-32854PD131130

Datenbank-Bezeichner

CAS: 26153-38-8
PubChem CID: 94365
DTXSID: DTXSID60180776
ChEBI: CHEBI:50204
UNII: P9FU6Z2MAA
EC Number: 247-479-4
Nikkaji: J20.078F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 57,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 1
Schwere Atome: 10
Formalladung: 0
Komplexität: 114

Physikochemische Eigenschaften

Schmelzpunkt: 153 · 153-158 °C (lit.)
Siedepunkt: 324.3 · 324.3±12.0 °C(Predicted)
Dichte: 1.409 · 1.409±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: Soluble in ethanol and diethyl ether.
Aggregatzustand: Crystalline Powder
pka: 8.73 · 8.73±0.10(Predicted)
Farbe: White to tan to gray
BRN: 1930147 · 1930147
InChI: InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H
InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(O)=CC(O)=C1
LogP: 0.973 · 0.973 (est)
CAS Datenbank: 26153 · 26153-38-8(CAS DataBase Reference)

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29124990
risk_code: 36/37/38-22
hazard_code: Xi
safety_code: 22-24/25-37/39-26
hazard_class: IRRITANT, AIR SENSITIVE
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen · 2 Einträge

Beschreibung3,5-Dihydroxybenzaldehyde is a building block. It has been used in the synthesis of 2,4-dimethylbenzoylhydrazones with antileishmanial and antioxidant activities.

Verwenden3,5-Dihydroxybenzaldehyde is suitable for use in the synthesis of 3,5-dihydroxyphenylglycine (3,5-DHPG). It may be used in the synthesis of:fulgide73,5-bis(undeca-4,6-diynyloxy)benzaldehyde3,5-didodecyloxybenzaldehyde1′-methyl-1′,5′-dihydro-2′-(3,5-bis(undeca-4,6-diynyloxy)phenyl)-1H-pyrrolo[3′,4′:1,9](C60-Ih)[5,6]fullerene (F2D)