3,3'-Biphenyldiol

HCID 69165CAS 612-76-0

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Grundinformationen

Standard-SMILES: Oc1cccc(-c2cccc(O)c2)c1
InChIKey: VZQSBJKDSWXLKX-UHFFFAOYSA-N
Summenformel: C12H10O2
Durchschnittliche Molmasse: 186,21 g/mol
Monoisotopische Masse: 186,06807956

Namen und Bezeichner

Bevorzugter Name: 3,3'-Biphenyldiol
IUPAC: 3-(3-hydroxyphenyl)phenol
Englischer Name: 3,3'-Dihydroxybiphenyl
Summenformel: C12H10O2
Molmasse: 186.21

Namen und Synonyme

[1,1'-Biphenyl]-3,3'-diol612-76-03,3'-dihydroxybiphenylm,m'-Biphenol3,3'-biphenol3,3'-biphenyldiol[1,1'-Biphenyl]diol3,3`-BiphenolF37VMX949PM-DIPHENOL(1,1'-Biphenyl)-3,3'-diol(1,1'-Biphenyl)diol

Weitere Namen anzeigen

Biphenyl-3,3'-diol3,3'-DIHYDROXYDIPHENYL3,3'-DIHYDROXYDIPHENYL1,1'-Biphenyl]-3,3'-diol3-(3-hydroxyphenyl)phenol

(1,1'-Biphenyl)-ar,3-diol[1,1'-Biphenyl]-ar,3-diolDTXSID001031446EINECS 269-831-6RefChem:484942DTXCID5045887DTXSID3071432DTXCID701516469

Datenbank-Bezeichner

CAS: 612-76-0、68334-50-9
PubChem CID: 69165
DTXSID: DTXSID001031446
ChEMBL: CHEMBL3815102
UNII: F37VMX949P
EC Number: 269-831-6、622-147-5
Nikkaji: J134.635K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 2,9
Polarare Oberfläche (TPSA): 40,5 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 14
Formalladung: 0
Komplexität: 161

Experimentelle und physikochemische Eigenschaften

Kovats Retention Index1976

Physikochemische Eigenschaften

Schmelzpunkt: 124.8 °C · 124.8°C
Siedepunkt: 280.69 °C · 280.69°C (rough estimate)
Dichte: 1.1032 · 1.1032 (rough estimate)
Brechungsindex: 1.6086 · 1.6086 (estimate)
storage temp.: 2 · 2-8°C, protect from light, stored under nitrogen
pka: 9.45 · 9.45±0.10(Predicted)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 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.