4-Hydroxy-3,5-diiodbenzaldehyd

4-Hydroxy-3,5-diiodobenzaldehyde

HCID 74760CAS 1948-40-9

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Grundinformationen

Standard-SMILES: O=Cc1cc(I)c(O)c(I)c1
InChIKey: WHLUEIMENHLCMY-UHFFFAOYSA-N
Summenformel: C7H4I2O2
Durchschnittliche Molmasse: 373,91 g/mol
Monoisotopische Masse: 373,83007537

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxy-3,5-diiodobenzaldehyde
IUPAC: 4-hydroxy-3,5-diiodobenzaldehyde
Lokaler Name: 4-Hydroxy-3,5-diiodbenzaldehyd
Englischer Name: 3,5-Diiodo-4-hydroxybenzaldehyde
Summenformel: C7H4I2O2
Molmasse: 373.91

Namen und Synonyme

4-Hydroxy-3,5-diiodobenzaldehyde1948-40-9Benzaldehyde, 4-hydroxy-3,5-diiodo-EINECS 217-754-3NSC 72943DTXSID20173129RefChem:523779DTXCID5095620217-754-33,5-Diiodo-4-hydroxybenzaldehydeMFCD000146703,5-Diiodo4-hydroxybenzaldehyde

Weitere Namen anzeigen

AKOS B0287446-FluoroacetophenoneAmiodarone Impurity 462,6-Diiodo-4-formylphenol4-Hydroxy-3,5-diiodbenzaldehydLevothyroxine Sodium Impurity f3,5-Diiodo-4-Hydroxybenzaldhyde3,5-Diiodo-4-Hydroxybenzadehyde

4-hydroxy-3,5-diiodo-benzaldehyde4-Hydroxy-3,5-diiodobenzaldehyde #BBL023135NSC-72943STK015966AKOS000313088SY022938EN300-345099

Datenbank-Bezeichner

CAS: 1948-40-9
PubChem CID: 74760
DTXSID: DTXSID20173129
UNII: UGE46KPQ52
EC Number: 217-754-3
Nikkaji: J199.767J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,7
Polarare Oberfläche (TPSA): 37,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 11
Formalladung: 0
Komplexität: 139

Experimentelle und physikochemische Eigenschaften

Endocrine DisruptorsPotential endocrine disrupting compound

Physikochemische Eigenschaften

Schmelzpunkt: 202 · 202-203°C
Siedepunkt: 284.1 · 284.1±40.0 °C(Predicted)
Dichte: 2.602 · 2.602±0.06 g/cm3(Predicted)
storage temp.: -20 °C · -20°C Freezer, Under Inert Atmosphere
Löslichkeit: Chloroform (Slightly, Sonicated), DMSO (Slightly)
Aggregatzustand: Solid
pka: 4.89 · 4.89±0.23(Predicted)
Farbe: White to Pale Yellow
Wasserlöslichkeit: Insoluble in water. Sparingly soluble in chloroform and methanol.
BRN: 1283414 · 1283414
InChI: InChI=1S/C7H4I2O2/c8-5-1-4(3-10)2-6(9)7(5)11/h1-3,11H
InChIKey: WHLUEIMENHLCMY-UHFFFAOYSA-N
SMILES: C(=O)C1=CC(I)=C(O)C(I)=C1
CAS Datenbank: 1948 · 1948-40-9(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 6 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.