4-Hydroxy-3-iodobiphenyl

HCID 4106140

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Grundinformationen

CAS: 71031-48-6
Standard-SMILES: Oc1ccc(-c2ccccc2)cc1I
InChIKey: RXRDOSHIMLSXKG-UHFFFAOYSA-N
Summenformel: C12H9IO
Durchschnittliche Molmasse: 296,1 g/mol
Monoisotopische Masse: 295,96981

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxy-3-iodobiphenyl
IUPAC: 2-iodo-4-phenylphenol
Englischer Name: 4-Hydroxy-3-iodobiphenyl 95
Summenformel: C12H9IO
Molmasse: 296.1

Namen und Synonyme

4-Hydroxy-3-iodobiphenyl71031-48-6DTXSID40399384RefChem:293238DTXCID70350241624-598-32-iodo-4-phenylphenol3-iodo-[1,1'-biphenyl]-4-olMFCD000947243-Iodobiphenyl-4-ol4-Hydroxy-3-Iodo-biphenyl2-iodo-4-phenyl-phenol

Weitere Namen anzeigen

3-iodo-(1,1'-biphenyl)-4-ol4-Hydroxy-3-iodobiphenyl 954-Hydroxy-3-iodobiphenyl 95%4-Hydroxy-3-iodobiphenyl 95%[1,1'-Biphenyl]-4-ol, 3-iodo-3-Iodo-(1,1μ-biphenyl)-4-ol, 3-Iodo-4-phenylphenol

4-phenyl-2-iodophenol3-Iodo-biphenyl-4-olSCHEMBL326717SCHEMBL54937013-Iodo[1,1'-biphenyl]-4-ol4-Hydroxy-3-iodobiphenyl, 95%4-Hydroxy-3-iodobiphenyl, 97%RXRDOSHIMLSXKG-UHFFFAOYSA-N

Datenbank-Bezeichner

CAS: 71031-48-6
PubChem CID: 4106140
DTXSID: DTXSID40399384
EC Number: 624-598-3
Nikkaji: J338.592B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3,8
Polarare Oberfläche (TPSA): 20,2 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 177

Physikochemische Eigenschaften

Schmelzpunkt: 115 · 115-119 °C (lit.)
Aggregatzustand: solid
InChI: 1S/C12H9IO/c13-11-8-10(6-7-12(11)14)9-4-2-1-3-5-9/h1-8,14H
InChIKey: RXRDOSHIMLSXKG-UHFFFAOYSA-N
SMILES: Oc1ccc(cc1I)-c2ccccc2

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264, P264+P265, P273, P280, P302+P352, P305+P354+P338, P317, P321, P332+P317, P362+P364, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.