Biphenyl-2,2'-diol

(1,1'-Biphenyl)-2,2'-diol

HCID 15731CAS 1806-29-7

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Grundinformationen

Standard-SMILES: Oc1ccccc1-c1ccccc1O
InChIKey: IMHDGJOMLMDPJN-UHFFFAOYSA-N
Summenformel: C12H10O2
Durchschnittliche Molmasse: 186,21 g/mol
Monoisotopische Masse: 186,06807956

Überblick

Biphenyl-2,2'-diol is a member of the class of hydroxybiphenyls carrying hydroxy groups at positions 2 and 2'.

Namen und Bezeichner

Bevorzugter Name: (1,1'-Biphenyl)-2,2'-diol
IUPAC: 2-(2-hydroxyphenyl)phenol
Lokaler Name: Biphenyl-2,2'-diol
Englischer Name: 2,2'-Biphenol
Summenformel: C12H10O2
Molmasse: 186.21

Namen und Synonyme

1806-29-72,2'-BIPHENOL[1,1'-Biphenyl]-2,2'-diolBiphenyl-2,2'-diolo,o'-DiphenolO,O'-Biphenolo-Dihydroxydiphenylo,o'-Dihydroxybiphenyl2,2'-Dihydroxydiphenyl(1,1'-Biphenyl)-2,2'-diol2,2'-Dihydroxy-1,1'-biphenylPM2R53I3C9

Weitere Namen anzeigen

2 BiphenolOrthodiphenol2,2'-DIPHENOLO,O'-Diphenole

DTXSID6051809CHEBI:28970RefChem:440212DTXCID6030364217-303-02,2'-Dihydroxybiphenyl2,2'-Biphenyldiol2-(2-hydroxyphenyl)phenol

Datenbank-Bezeichner

CAS: 1806-29-7
PubChem CID: 15731
DTXSID: DTXSID6051809
ChEMBL: CHEMBL183874
ChEBI: CHEBI:28970
UNII: PM2R53I3C9
EC Number: 217-303-0
Nikkaji: J7.779H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 3
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

PolymersOther Classes -> Alcohols and Polyols, Other

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Endocrine DisruptorsPotential endocrine disrupting compound

Vapor Pressure0.00000079 [mmHg]

Physical DescriptionOff-white crystals; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt: 108 · 108-110 °C
Siedepunkt: 315 °C · 315 °C(lit.)
Dichte: 0.83 · 0.83
Brechungsindex: 1.6086 · 1.6086 (estimate)
Flammpunkt: 154 °C · 154 °C
storage temp.: 30 °C · Store below +30°C.
Aggregatzustand: Powder
pka: 7.32 · 7.32±0.10(Predicted)
Farbe: Beige to grayish-beige
Wasserlöslichkeit: insoluble
BRN: 1638363 · 1638363
InChI: 1S/C12H10O2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8,13-14H
InChIKey: IMHDGJOMLMDPJN-UHFFFAOYSA-N
SMILES: Oc1ccccc1-c2ccccc2O
CAS Datenbank: 1806 · 1806-29-7(CAS DataBase Reference)
NIST chemische Informationen: 1 · [1,1'-Biphenyl]-2,2'-diol(1806-29-7)
EPA chemische Informationen: 2 · 2,2'-Biphenol (1806-29-7)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.

Danger

H302 (21.2%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 52 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 2 Einträge

Status: Active Update: 01-04-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32300

[1,1'-Biphenyl]-2,2'-diol: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryIntraperitoneal LD50 (mouse) = 150 mg/kg; [RTECS] A skin, mucous membrane, and severe eye irritant; Toxic by ingestion; [Alfa Aesar MSDS] See Biphenyl. See Phenol.

Hazard Classes and CategoriesAcute Tox. 4 (21.2%)

Sicherheitsdaten

F: 8-9-23
wgk: 2
tsca: TSCA listed
hs_code: 29029090
RTECS-Nr.: DV4200000
risk_code: 37/38-41-36-22
Toxizität: oms-hmn:lym 5 mmol/L CNREA8 45,2471,85
hazard_code: Xi,Xn
safety_code: 26-39-36/37/39
Speicherklasse: 11 - Combustible Solids
Selbstentzündungstemperatur: 324 °C

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information[1,1'-Biphenyl]-2,2'-diol: ACTIVE

Anwendungen

Verwenden2,2'-Dihydroxybiphenyl, is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.