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CAS No.: | 2664-63-3 |
---|---|
Name: | 4,4'-Thiobis-phenol |
Article Data: | 60 |
Molecular Structure: | |
Formula: | C12H10O2S |
Molecular Weight: | 218.276 |
Synonyms: | Phenol,4,4'-thiodi- (6CI,7CI,8CI);Phenol, p,p'-thiobis- (3CI);Phenol, p,p'-thiodi-(4CI);4,4'-Dihydroxydiphenyl sulfide;4,4'-Thiobisphenol;4-(4-Hydroxyphenylthio)phenol;Bis(4-hydroxyphenyl) sulfide;Bis(p-hydroxyphenyl) sulfide;Bis(p-hydroxyphenyl)thioether;Bisphenol T;Bisphenol sulfide;NSC 203030;Thiobisphenol;p,p'-Dihydroxydiphenyl sulfide;Phenol,4,4'-thiobis-;Bis(4-oxyphenyl)sulfide; |
EINECS: | 220-197-9 |
Density: | 1.37 g/cm3 |
Melting Point: | 154-156 °C(lit.) |
Boiling Point: | 452.7 °C at 760 mmHg |
Flash Point: | 219.7 °C |
Solubility: | Insoluble in water |
Appearance: | White Crystals |
Hazard Symbols: | C |
Risk Codes: | 34 |
Safety: | 26-27-36/37/39-45 |
Transport Information: | UN 3261 8/PG 2 |
PSA: | 65.76000 |
LogP: | 3.24900 |
Conditions | Yield |
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With phosphorus trichloride In acetonitrile at 25℃; for 0.5h; Schlenk technique; | 94% |
With phosphorus trichloride In acetonitrile at 25℃; for 0.5h; Schlenk technique; | 94% |
With silica bromide In dichloromethane at 20℃; for 0.0833333h; Inert atmosphere; | 91% |
Conditions | Yield |
---|---|
With tetraethylammonium perchlorate In acetonitrile for 2h; Ambient temperature; working pot.: 2.2 V vs SCE; | 92% |
With N,N'-thiodimorpholine; boron trifluoride In dichloromethane at -78 - 25℃; | 46% |
With carbon disulfide; sulfur dichloride |
Conditions | Yield |
---|---|
With sulfur; sodium hydroxide In dimethyl sulfoxide at 130℃; for 3.33333h; | 90% |
With sulfur; potassium hydroxide In dimethyl sulfoxide at 130℃; for 1.66667h; Green chemistry; | 88% |
With potassium hydroxide In dimethyl sulfoxide at 120℃; for 3h; Green chemistry; | 74% |
With thiourea; potassium hydroxide In dimethyl sulfoxide at 130℃; for 6h; Reagent/catalyst; | 67% |
Conditions | Yield |
---|---|
With sulfur; potassium hydroxide In dimethyl sulfoxide at 130℃; for 2.16667h; Green chemistry; | 88% |
With sulfur; potassium hydroxide In dimethyl sulfoxide at 110℃; for 1.16667h; | 83% |
With sulfur; sodium hydroxide In dimethyl sulfoxide at 130℃; for 4.33333h; | 73% |
Conditions | Yield |
---|---|
Stage #1: 4-sulfanylphenol With [2,2]bipyridinyl; nickel(II) chloride hexahydrate In N,N-dimethyl-formamide; acetonitrile at 20℃; for 0.0833333h; Stage #2: (p-hydroxyphenyl)boronic acid With potassium tert-butylate In N,N-dimethyl-formamide; acetonitrile at 20℃; for 12h; chemoselective reaction; | 81% |
Conditions | Yield |
---|---|
With sulfur; potassium hydroxide In neat (no solvent) at 110℃; for 7.3h; Reagent/catalyst; Green chemistry; chemoselective reaction; | 68% |
With sulfur; potassium hydroxide In dimethyl sulfoxide at 100℃; for 12h; | 55% |
With thiourea; potassium hydroxide at 100℃; for 3.5h; Catalytic behavior; | 55% |
With thiourea; sodium hydroxide In dimethyl sulfoxide at 130℃; for 10.5h; | 43% |
Conditions | Yield |
---|---|
With tetraethylammonium perchlorate; trichloroacetic acid In dichloromethane for 2h; Ambient temperature; working pot.: 2.2 V vs SCE; | A 48% B 37% |
4-bromo-phenol
A
ortho-mercaptophenol
B
2,4-dibromophenol
C
2-hydroxybromobenzene
D
4,4'-Thiodiphenol
E
phenol
Conditions | Yield |
---|---|
With hydrogen sulfide; sulfur at 110℃; for 3h; Mechanism; Product distribution; var. temp. and time; other halogenophenols, also phenol; | A 5.1% B 8.5% C 9.6% D n/a E 32.6% |
Conditions | Yield |
---|---|
With sodium hydroxide; sodium disulfide at 90℃; |
Conditions | Yield |
---|---|
With sulfuric acid; acetic acid; isopentyl nitrite Diazotization.Eintragen der erhaltenen Diazoniumsalz-Loesung in wss. H2SO4 bei Siedetemperatur; |
IUPAC Name: 4-(4-Hydroxyphenyl)sulfanylphenol
Canonical SMILES: C1=CC(=CC=C1O)SC2=CC=C(C=C2)O
InChI: 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
Molecular Weight: 218.2716 [g/mol]
Molecular Formula: C12H10O2S
XLogP3: 3.3
H-Bond Donor: 2
H-Bond Acceptor: 2
EINECS: 220-197-9
Product Categories: Biochemistry; Color Former & Related Compounds; Developer; Diphenyl Sulfides (for High-Performance Polymer Research); Functional Materials; Reagent for High-Performance Polymer Research; Reagents for Oligosaccharide Synthesis
Sensitive: Air Sensitive
Index of Refraction: 1.717
Molar Refractivity: 62.53 cm3
Molar Volume: 158.7 cm3
Surface Tension: 70.6 dyne/cm
Density: 1.37 g/cm3
Flash Point: 219.7 °C
Enthalpy of Vaporization: 73.94 kJ/mol
Boiling Point: 452.7 °C at 760 mmHg
Vapour Pressure: 8.17E-09 mmHg at 25 °C
Melting Point: 154-156 °C(lit.)
Classification Code of Bis(4-oxyphenyl)sulfide (CAS NO.2664-63-3): Skin / Eye Irritant
1. | skn-rbt 500 mg MLD | BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets .(Northbrook, IL.: )1971,A408. | ||
2. | eye-rbt 100 mg SEV | BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets .(Northbrook, IL.: )1971,A408. | ||
3. | orl-rat LD50:3362 mg/kg | BIOFX* BIOFAX Industrial Bio-Test Laboratories, Inc., Data Sheets .(Northbrook, IL.: )1971,A408. | ||
4. | orl-mus LD50:5500 mg/kg | TPKVAL Toksikologiya Novykh Promyshlennykh Khimicheskikh Veshchestv. Toxicology of New Industrial Chemical Sciences. 13 (1973),154. |
Reported in EPA TSCA Inventory.
Moderately toxic by ingestion. Corrosive. A skin and severe eye irritant. When heated to decomposition Bis(4-oxyphenyl)sulfide emits toxic fumes of SOx.
Hazard Codes: C
Risk Statements: 34
R34:Causes burns.
Safety Statements: 26-27-36/37/39-45
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S27:Take off immediately all contaminated clothing.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 3261 8/PG 2
WGK Germany: 2
RTECS: SN0800000
HazardClass: 8
PackingGroup: II
Bis(4-oxyphenyl)sulfide (CAS NO.2664-63-3), its Synonyms are 4,4'-Dihydroxydiphenyl sulfide ; 4,4'-Dihydroxydiphenylsulfide ; 4,4'-Dioxydiphenyl sulfide ; 4,4'-Dioxydiphenylsulfide ; 4,4'-Thiobisphenol ; Bis(4-hydroxyphenyl) sulfide ; Bis(p-hydroxhphenyl) sulfide ; DFS ; Sulfide, bis(4-hydroxyphenyl) ; Thiobisphenol ; p,p'-Dihydroxydiphenyl sulfide .