Grundinformationen
- Standard-SMILES
Oc1ccc(-c2ccc(O)cc2)cc1- InChIKey
VCCBEIPGXKNHFW-UHFFFAOYSA-N- Summenformel
- C12H10O2
- Durchschnittliche Molmasse
- 186,21 g/mol
- Monoisotopische Masse
- 186,06807956
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Dihydroxybiphenyl
- IUPAC
- 4-(4-hydroxyphenyl)phenol
- Lokaler Name
- Biphenyl-4,4'-diol
- Englischer Name
- 4,4'-Biphenol
- Summenformel
- C12H10O2
- Molmasse
- 186.21
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
92-88-6- PubChem CID
- 7112
- DTXSID
DTXSID1029120- ChEMBL
CHEMBL76398- ChEBI
CHEBI:34367- UNII
- R8994A0904
- EC Number
- 202-200-5
- Nikkaji
- J45.978J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,6
- Polarare Oberfläche (TPSA)
- 40,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 14
- Formalladung
- 0
- Komplexität
- 145
Experimentelle und physikochemische Eigenschaften
Physical Description
Dry Powder; Other Solid
Off-white, light beige, or light gray odorless powder; [Acros Organics MSDS]
Kovats Retention Index
1979
2046
Physikochemische Eigenschaften
- Schmelzpunkt
- 280 · 280-282 °C(lit.)
- Siedepunkt
- 280.69 °C · 280.69°C (rough estimate)
- Dichte
- 1.22 · 1.22
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Brechungsindex
- 1.601 · 1.6010 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 9.74 · 9.74±0.26(Predicted)
- Aggregatzustand
- Powder
- Farbe
- Off-white to light beige or light gray
- Wasserlöslichkeit
- sparingly soluble
- BRN
- 1908886 · 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
- 2.7 at · 2.7 at 20℃
- CAS Datenbank
- 92 · 92-88-6(CAS DataBase Reference)
- NIST chemische Informationen
- p,p'-Biphenol(92-88-6)
- EPA chemische Informationen
- 4 · 4,4'-Biphenyldiol (92-88-6)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 0.5% (1 of 211) of reports.
Warning
H312 (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 exposure; Respiratory 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.
Gefahrenhinweise
Regulatory Information
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/15910;Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22776
Hazards Summary
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 irritant; Harmful 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 4;Germ cell mutagenicity - Category 2;Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 2
Skin sensitization - Category 1;Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 2
Toxikologische Informationen
Regulatorische Informationen
Regulatory Information
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/15910;Status: Active Update: 07-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22776
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- 3077
- hs_code
- 29061900
- RTECS-Nr.
- DV4725000
- risk_code
- 21-36/37/38-37/38/68-36
- Toxizität
- LD50 orl-rat: 9850 mg/kg TXAPA9 28,313,74
- hazard_code
- Xn
- safety_code
- 26-36-24/25-36/37
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 4.2 - Pyrophoric and self-heating hazardous materials
- Hazard Classifications
- Aquatic Chronic 3Self-heat. 2Skin Sens. 1
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information
All Other Chemical Product and Preparation Manufacturing;Plastics Material and Resin Manufacturing
[1,1'-Biphenyl]-4,4'-diol: ACTIVE
Anwendungen
Verwenden4,4'-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.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
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Ergänzende Hinweise
DefinitionChEBI: A member of the class of hydroxybiphenyls that is biphenyl with hydroxy groups at positions 4 and 4'.
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