4,4'-Thiodiphenol
Basic information
- CAS
2664-63-3- Standard SMILES
Oc1ccc(Sc2ccc(O)cc2)cc1- InChIKey
VWGKEVWFBOUAND-UHFFFAOYSA-N- Molecular formula
- C12H10O2S
- Average molar mass
- 218.27 g/mol
- Monoisotopic mass
- 218.04015056
Overview
4,4'-thiodiphenol is a member of phenols. It derives from a hydride of a diphenyl sulfide.
Names & identifiers
- Preferred name
- 4,4'-Thiodiphenol
- IUPAC
- 4-(4-hydroxyphenyl)sulfanylphenol
- English name
- 4,4'-Thiobis-phenol
- Molecular formula
- C12H10O2S
- Molecular weight
- 218.27
Names & synonyms
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
Show more names
TDPpharMaceutical interMediateDFS4,4'-Thiodbisphenol4,4’-dioxydiphenylsulfideThiodiphenol4, 98.0%(GC)4,4'-thiobis-
NGN288M6MMCHEBI:38957NSC-203030DTXCID5027936TDP cpdRefChem:506901220-197-94,4'-thiobis-phenol
Database identifiers
- CAS
2664-63-3- PubChem CID
- 17570
- DTXSID
DTXSID9047960- ChEMBL
CHEMBL3183502- ChEBI
CHEBI:38957- UNII
- NGN288M6MM
- EC Number
- 220-197-9
- Nikkaji
- J31.947C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 65.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 162
Experimental & physicochemical properties
Chemical ClassesOther Classes -> Sulfur Compounds
LogP3.34
Endocrine DisruptorsPotential endocrine disrupting compound
Vapor Pressure0.00000018 [mmHg]
Physical DescriptionOff-white crystalline solid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Melting point
- 154 · 154-156 °C (lit.)
- Boiling point
- 328.96 °C · 328.96°C (rough estimate)
- Density
- 1.2618 · 1.2618 (rough estimate)
- refractive index
- 1.52 · 1.5200 (estimate)
- storage temp.
- 30 °C · Store below +30°C.
- Water Solubility
- Insoluble in water
- form
- Crystalline Powder
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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%)
Toxicology
Adverse EffectsDermatotoxin - Skin burns.
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P3 (EN 143) respirator cartridges
- wgk
- 2
- tsca
- TSCA listed
- rtecs
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPhenol, 4,4'-thiobis-: ACTIVE
Applications
UsesIntermediate, flame-retardant, antioxidant, engineering plastics.
Uses4,4'-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.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: 4,4'-thiodiphenol is a member of phenols. It derives from a hydride of a diphenyl sulfide.
Related reactions
9 records
Compound notes
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