4,4'-Thiodiphenol
Grundinformationen
- CAS
2664-63-3- Standard-SMILES
Oc1ccc(Sc2ccc(O)cc2)cc1- InChIKey
VWGKEVWFBOUAND-UHFFFAOYSA-N- Summenformel
- C12H10O2S
- Durchschnittliche Molmasse
- 218,27 g/mol
- Monoisotopische Masse
- 218,04015056
Überblick
4,4'-thiodiphenol is a member of phenols. It derives from a hydride of a diphenyl sulfide.
Namen und Bezeichner
- Bevorzugter Name
- 4,4'-Thiodiphenol
- IUPAC
- 4-(4-hydroxyphenyl)sulfanylphenol
- Lokaler Name
- 4,4'-Thiodiphenol
- Englischer Name
- 4,4'-Thiobis-phenol
- Summenformel
- C12H10O2S
- Molmasse
- 218.27
Namen und Synonyme
4,4'-Thiodiphenol2664-63-3Bis(4-hydroxyphenyl) sulfidePhenol, 4,4'-thiobis-4,4'-Thiobisphenol4,4'-Dihydroxydiphenyl sulfideThiobisphenolp,p'-Dihydroxydiphenyl sulfideBis(4-oxyphenyl)sulfidePHENOL, 4,4'-THIODI-4,4'-sulfanediyldiphenolDTXSID9047960
Weitere Namen anzeigen
TDPpharMaceutical interMediateDFS4,4'-Thiodbisphenol4,4’-dioxydiphenylsulfideThiodiphenol4, 98.0%(GC)4,4'-thiobis-
NGN288M6MMCHEBI:38957NSC-203030DTXCID5027936TDP cpdRefChem:506901220-197-94,4'-thiobis-phenol
Datenbank-Bezeichner
- CAS
2664-63-3- PubChem CID
- 17570
- DTXSID
DTXSID9047960- ChEMBL
CHEMBL3183502- ChEBI
CHEBI:38957- UNII
- NGN288M6MM
- EC Number
- 220-197-9
- Nikkaji
- J31.947C
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 3,3
- Polarare Oberfläche (TPSA)
- 65,8 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 2
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 162
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Sulfur Compounds
LogP3.34
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.00000018 [mmHg]
Physical DescriptionOff-white crystalline solid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 154 · 154-156 °C (lit.)
- Siedepunkt
- 328.96 °C · 328.96°C (rough estimate)
- Dichte
- 1.2618 · 1.2618 (rough estimate)
- Brechungsindex
- 1.52 · 1.5200 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Wasserlöslichkeit
- Insoluble in water
- pka
- 9.31 · 9.31±0.26(Predicted)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H314 (81.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P321, P337+P317, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 55 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory InformationBis(4-hydroxyphenyl)sulfide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes tearing and conjunctival irritation in acute ocular studies of rabbits; Causes changes in brain circulation (hemorrhage, thrombosis, etc.) in oral lethal-dose studies of mice; [RTECS] Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract and lungs; [Sigma-Aldrich MSDS] See Phenyl sulfide.
Hazard Classes and CategoriesSkin Corr. 1B (81.8%)
Toxikologische Informationen
Adverse EffectsDermatotoxin - Skin burns.
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3261 8/PG 2
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPhenol, 4,4'-thiobis-: ACTIVE
Anwendungen
Verwenden4,4'-thiobis-phenol can be applied to produce a non-halogen type epoxy (meth)acrylate resin having high refractive index, transparency and thermal stability. It is also used to produce a non-systemic organophosphorus insecticide TEMEPHOS.
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