Biphenyl-2,2'-diol

2,2'-Dihydroxy-1,1'-biphenyl · 2,2'-Dihydroxybiphenyl · 2 Biphenol · Orthodiphenol · 2,2'-DIPHENOL · O,O'-BIPHENOL · O,O'-DIPHENOL · 2,2'-Biphenol

Identifikatoren & physikalische Daten

CAS No.	1806-29-7
Summenformel	C12H10O2
Durchschnittliche Molmasse	186,21 g/mol
Monoisotopische Masse	186,06807956 g/mol
SMILES	Oc1ccccc1-c1ccccc1O
InChIKey	IMHDGJOMLMDPJN-UHFFFAOYSA-N
PubChem CID	15731
ChEMBL	CHEMBL183874
ChEBI	CHEBI:28970
EC No.	217-303-0
DTXSID	DTXSID6051809
Lokaler Name	Biphenyl-2,2'-diol

XLogP	3
Polarare Oberfläche (TPSA)	40,5
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	2
Frei drehbare Bindungen	1
Schwere Atome	14
Formalladung	0
Komplexität	161
Polymers	Other Classes -> Alcohols and Polyols, Other
SpringerMaterials Properties	13C nuclear magnetic resonance spectrum
Endocrine Disruptors	Potential endocrine disrupting compound
Dampfdruck	0.00000079 [mmHg]
Physical Description	Off-white crystals[Alfa Aesar MSDS]
Schmelzpunkt	108-110 °C
Siedepunkt	315 °C(lit.)
Dichte	0.83
Brechungsindex	1.6086 (estimate)
Flammpunkt	154 °C
Lagerbedingungen	Store below +30°C.
Aggregatzustand	Powder
pKa (Säurekonstante)	7.32±0.10(Predicted)
Farbe	Beige to grayish-beige
Löslichkeit	insoluble
BRN	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	1806-29-7(CAS DataBase Reference)
NIST chemische Informationen	[1,1'-Biphenyl]-2,2'-diol(1806-29-7)
EPA chemische Informationen	2,2'-Biphenol (1806-29-7)

GHS-Einstufung	This chemical does not meet GHS hazard criteria for 3.8% (2 of 52) of reports.DangerH302 (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.
Regulatorische Informationen	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
Gefahrenübersicht	Intraperitoneal LD50 (mouse) = 150 mg/kg[RTECS] A skin, mucous membrane, and severe eye irritantToxic by ingestion[Alfa Aesar MSDS] See Biphenyl. See Phenol.
Hazard Classes and Categories	Acute Tox. 4 (21.2%)
F	8-9-23
Wassergefährdungsklasse (WGK)	2
TSCA-Inventar-Status	TSCA listed
Zollcode	29029090
RTECS-Nr.	DV4200000
R-Sätze (R)	37/38-41-36-22
Toxizität	oms-hmn:lym 5 mmol/L CNREA8 45,2471,85
Gefahrensymbole	Xi,Xn
Sicherheitshinweise (S)	26-39-36/37/39
Lagerklasse	11 - Combustible Solids
Selbstentzündungstemperatur	324 °C

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