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Biphenyl-4,4'-diol
PPDP · BIPHENOL · DOD · [1,1'-Biphenyl]-4,4'-diol · (1R,2R)-Cyclohexane-1,2-diol · 4,4'-Dihydroxybiphenyl · BIPHENOL S · P,P'-BIPHENOL
Identifikatoren & physikalische Daten
| CAS No. | 92-88-6 |
|---|---|
| Summenformel | C12H10O2 |
| Durchschnittliche Molmasse | 186,21 g/mol |
| Monoisotopische Masse | 186,06807956 g/mol |
| SMILES | Oc1ccc(-c2ccc(O)cc2)cc1 |
| InChIKey | VCCBEIPGXKNHFW-UHFFFAOYSA-N |
| PubChem CID | 7112 |
| ChEMBL | CHEMBL76398 |
| ChEBI | CHEBI:34367 |
| EC No. | 202-200-5 |
| DTXSID | DTXSID1029120 |
| Lokaler Name | Biphenyl-4,4'-diol |
Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 145 |
| Dampfdruck | 0.00000079 [mmHg]0Pa at 25℃ |
| Physical Description | Dry PowderOther SolidOff-white, light beige, or light gray odorless powder[Acros Organics MSDS] |
| Kovats Retention Index | 19792046 |
| Schmelzpunkt | 280-282 °C(lit.) |
| Siedepunkt | 280.69°C (rough estimate) |
| Dichte | 1.22 |
| Brechungsindex | 1.6010 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 9.74±0.26(Predicted) |
| Aggregatzustand | Powder |
| Farbe | Off-white to light beige or light gray |
| Löslichkeit | sparingly soluble |
| BRN | 1908886 |
| Kosmetik-Inhaltsstoffe Funktionen | BLEACHINGSKIN PROTECTING |
| InChI | 1S/C12H10O2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,13-14H |
| InChIKey | VCCBEIPGXKNHFW-UHFFFAOYSA-N |
| SMILES | Oc1ccc(cc1)-c2ccc(O)cc2 |
| LogP (Verteilungskoeffizient) | 2.7 at 20℃ |
| CAS Datenbank | 92-88-6(CAS DataBase Reference) |
| NIST chemische Informationen | p,p'-Biphenol(92-88-6) |
| EPA chemische Informationen | 4,4'-Biphenyldiol (92-88-6) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 0.5% (1 of 211) of reports.WarningH312 (44.1%): Harmful in contact with skin [Warning Acute toxicity, dermal]H315 (26.1%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (55.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (25.6%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (25.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H411 (18.5%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]H412 (55.5%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 211 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 211 reports by companies.There are 14 notifications provided by 210 of 211 reports by companies with hazard statement code(s).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. |
|---|---|
| Regulatorische Informationen | Chemical: [1,1'-Biphenyl]-4,4'-diol[1,1'-Biphenyl]-4,4'-diol is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of [1,1'-Biphenyl]-4,4'-diol are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15910Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22776 |
| Gefahrenübersicht | Showed estrogenic activity in Saccharomyces cerevisiae hER in vivo assays[EPA - TSCATS] Abnormal urinalysis, reversible gross and histopathological liver changes in males, and no evidence of reproductive or developmental toxicity observed in oral study of rats[JECDB] May cause skin sensitization[ECHA REACH Registrations] An irritantHarmful by skin absorption[Acros Organics MSDS] See Biphenyl. |
| Hazard Classes and Categories | Acute Tox. 4 (44.1%)Skin Irrit. 2 (26.1%)Skin Sens. 1 (55.9%)Eye Irrit. 2 (25.6%)STOT SE 3 (25.1%)Aquatic Chronic 2 (18.5%)Aquatic Chronic 3 (55.5%)Acute toxicity (Dermal) - Category 4Germ cell mutagenicity - Category 2Hazardous to the aquatic environment (Acute) - Category 2Hazardous to the aquatic environment (Long-term) - Category 2Skin sensitization - Category 1 |
| Unerwünschte Wirkungen | Skin Sensitizer - An agent that can induce an allergic reaction in the skin. |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3077 |
| Zollcode | 29061900 |
| RTECS-Nr. | DV4725000 |
| R-Sätze (R) | 21-36/37/38-37/38/68-36 |
| Toxizität | LD50 orl-rat: 9850 mg/kg TXAPA9 28,313,74 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-24/25-36/37 |
| Gefahrenklasse | 9Aquatic Chronic 3Self-heat. 2Skin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 4.2 - Pyrophoric and self-heating hazardous materials |
Anwendungen & Verwendung
Verwenden
4,4'-biphenol be used intermediate liquid crystal polymers raw materials. Synthetic polymers, due to its excellent heat resistance, it is used as polyester, urethane modified monomer, polycarbonate, polysulfone, and epoxy resin, for the manufacture of an excellent engineering plastics and composite materials. Antioxidant antioxidants for rubber and plastics. Dye intermediates or petroleum products stabilizer.