4,4'-Thiodiphenol (HCID 17570)

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 Å²
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)
Aggregatzustand: Crystalline Powder
Farbe: White to pale brown
BRN: 2050739 · 2050739
InChI: 1S/C12H10O2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey: VWGKEVWFBOUAND-UHFFFAOYSA-N
SMILES: Oc1ccc(Sc2ccc(O)cc2)cc1
CAS Datenbank: 2664 · 2664-63-3(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-4' Thio diphenol(2664-63-3)
EPA chemische Informationen: 4 · Phenol, 4,4'-thiobis- (2664-63-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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 · 1 Eintrag

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
hs_code: 29309070
RTECS-Nr.: SN0800000
risk_code: 34
Toxizität: LD50 orally in Rabbit: 3362 mg/kg LD50 dermal Rabbit > 10250 mg/kg
hazard_code: C
safety_code: 26-27-36/37/39-45
hazard_class: 8
packing_group: II
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 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.