5-Hydroxy-2-Methoxybenzaldehyde

HCID 358341CAS 35431-26-6

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Grundinformationen

Standard-SMILES: COc1ccc(O)cc1C=O
InChIKey: HWNIBJPEJAWOTR-UHFFFAOYSA-N
Summenformel: C8H8O3
Durchschnittliche Molmasse: 152,15 g/mol
Monoisotopische Masse: 152,04734412

Überblick

5-hydroxy-2-methoxybenzaldehyde has been reported in Trianthema portulacastrum with data available.

Namen und Bezeichner

Bevorzugter Name: 5-Hydroxy-2-Methoxybenzaldehyde
IUPAC: 5-hydroxy-2-methoxybenzaldehyde
Englischer Name: 5-Hydroxy-2-methoxybenzaldehyde
Summenformel: C8H8O3
Molmasse: 152.15

Namen und Synonyme

5-hydroxy-2-methoxybenzaldehyde35431-26-6DTXSID10326844RefChem:536182DTXCID00277957814-403-1MFCD038200465-hydroxy-2-methoxy-benzaldehyde2-Methoxy-5-hydroxybenzaldehydSCHEMBL16471013-hydroxy-6-methoxybenzaldehyde5-hydroxy-2-methoxybenzaidehyde

Weitere Namen anzeigen

2-Methoxy-5-hydroxybenzaldehyde5-Hydroxy-2-methoxybenzaldehyde 95+%5-Hydroxy-2-methoxybenzaldehyde ISO 9001：2015 REACH

Benzaldehyde, 5-hydroxy-2-methoxy-STK663890AKOS005526257CS-W006530NCI60_005535SY104272C748245-hydroxy-2-methoxy benzaldehyde

Datenbank-Bezeichner

CAS: 35431-26-6
PubChem CID: 358341
DTXSID: DTXSID10326844
ChEMBL: CHEMBL1988977
EC Number: 814-403-1
Nikkaji: J155.613D

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 2
Schwere Atome: 11
Formalladung: 0
Komplexität: 135

Physikochemische Eigenschaften

Schmelzpunkt: 110 · 110-115 °C
Siedepunkt: 309 · 309.0±22.0 °C(Predicted)
Dichte: 1.231 · 1.231±0.06 g/cm3(Predicted)
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Löslichkeit: Acetone (Slightly), DMSO (Slightly)
pka: 9.73 · 9.73±0.18(Predicted)
Aggregatzustand: Solid
Farbe: Light Brown to Dark Orange
Stabilität: Air Sensitive
InChI: 1S/C8H8O3/c1-11-8-3-2-7(10)4-6(8)5-9/h2-5,10H,1H3
InChIKey: HWNIBJPEJAWOTR-UHFFFAOYSA-N
SMILES: COc1ccc(O)cc1C=O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (50%)

Sicherheitsdaten

wgk: WGK 3
hs_code: 2916399090
hazard_code: Xi
hazard_class: IRRITANT, AIR SENSITIVE
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Acute Tox. 4 OralAquatic Chronic 3Eye Irrit. 2Skin Sens. 1