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CAS No.: | 118-72-9 |
---|---|
Name: | 2,6-DIMETHYLTHIOPHENOL |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H10S |
Molecular Weight: | 138.233 |
Synonyms: | 2,6-Xylenethiol(6CI,7CI,8CI);2,6-Dimethylbenzenethiol;2,6-Dimethylphenylthiol;2,6-Xylyl mercaptan; |
EINECS: | 204-272-3 |
Density: | 1.027 g/cm3 |
Melting Point: | -30°C (estimate) |
Boiling Point: | 218.2 °C at 760 mmHg |
Flash Point: | 85.6 °C |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39-36-7/9 |
PSA: | 38.80000 |
LogP: | 2.59210 |
2,6-dimethylbenzene-1-thiol
Conditions | Yield |
---|---|
With bis(cyclopentadienyl)titanium dichloride; dibutylmagnesium In n-heptane; diethylene glycol dimethyl ether at 0℃; for 1h; | 96% |
Conditions | Yield |
---|---|
With indium; ammonium chloride In ethanol for 1h; Reduction; Heating; | 94% |
With magnesium In methanol for 0.583333h; Ambient temperature; | 90% |
With sodium tetrahydroborate; zirconium(IV) chloride In tetrahydrofuran at 35℃; for 0.333333h; Reduction; | 80% |
Conditions | Yield |
---|---|
With copper(l) iodide; thiourea; L-proline; sodium t-butanolate In dimethyl sulfoxide at 90℃; for 24h; Inert atmosphere; | 83% |
Multi-step reaction with 2 steps 1: copper(l) iodide; tetra(n-butyl)ammonium hydroxide; sulfur / water / 24 h / 40 °C / Inert atmosphere; Sealed tube 2: hydrogenchloride; zinc / water / Inert atmosphere; Cooling with ice View Scheme |
potassium ethyl xanthogenate
2,6-Dimethylphenyl diazonium chloride
2,6-dimethylbenzene-1-thiol
Conditions | Yield |
---|---|
With water Erwaermen des Reaktionsprodukts mit aethanol. KOH; | |
With water Erwaermen des Reaktionsprodukts mit LiAlH4 in Aether; |
Conditions | Yield |
---|---|
(i) aq. NaNO2, aq. HCl, (ii) potassium ethylxanthate, (iii) KOEt, EtOH; Multistep reaction; | |
(i) NaNO2, aq. HCl, (ii) aq. EtOCS2K; Multistep reaction; | |
Multi-step reaction with 3 steps 1: (i) NaNO2, aq. H2SO4, (ii) /BRN= 3596974/, H2O 2: (i) aq. NaOH, EtOH, (ii) Br2 3: LiAlH4 / diethyl ether View Scheme |
Bis-<2,6-dimethyl-phenyl>-dithiolcarbonat
2,6-dimethylbenzene-1-thiol
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: (i) aq. NaOH, EtOH, (ii) Br2 2: LiAlH4 / diethyl ether View Scheme |
2,6-dimethylbenzene-1-thiol
N,N’-di(2,6-diisopropylphenyl)-1,6,9,13-tetrabromoterrylene-3,4:11,12-tetracarboxdiimide
N,N'-bis(2,6-diisopropylphenyl)-1,6,9,14-tetra(2,6-dimethylthiophenoxy)-terrylene-3,4:11,12-tetracarboximide
Conditions | Yield |
---|---|
With potassium carbonate In 1-methyl-pyrrolidin-2-one at 40℃; for 4h; | 100% |
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate In dichloromethane at -78℃; for 2h; | 100% |
Conditions | Yield |
---|---|
With tert.-butylhydroperoxide; sodium iodide In acetonitrile at 25℃; for 12h; | 100% |
With tert.-butylhydroperoxide; sodium iodide In acetonitrile at 20℃; for 12h; | 99% |
Conditions | Yield |
---|---|
With oxygen; SiO2-Cl In dichloromethane at 0℃; for 0.166667h; | 99% |
With 1,3-dibromo-5,5-dimethylimidazolidine-2,4-dione In chloroform at 25℃; for 0.0833333h; | 99% |
With aluminum oxide In neat (no solvent) for 0.5h; Milling; chemoselective reaction; | 95% |
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Molecular Structure of Benzenethiol,2,6-dimethyl- (CAS NO.118-72-9):
IUPAC Name: 2,6-dimethylbenzenethiol
Empirical Formula: C8H10S
Molecular Weight: 138.23
EINECS: 204-272-3
Sensitive:: Moisture Sensitive
BRN 1099405
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 25.3 Å2
Index of Refraction: 1.568
Molar Refractivity: 44.07 cm3
Molar Volume: 134.5 cm3
Surface Tension: 36.6 dyne/cm
Density: 1.027 g/cm3
Flash Point: 85.6 °C
Enthalpy of Vaporization: 43.61 kJ/mol
Boiling Point: 218.2 °C at 760 mmHg
Vapour Pressure: 0.187 mmHg at 25°C
InChI
InChI=1/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
Smiles
c1(c(cccc1C)C)S
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39-36-7/9
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S36:Wear suitable protective clothing.
S7:Keep container tightly closed.
S9:Keep container in a well-ventilated place.
WGK Germany: 2
TSCA: T
HazardClass: Irritant, Stench
Benzenethiol,2,6-dimethyl- , with CAS number of 118-72-9, can be called 2,6-Dimethyl-4-thiophenol ; 2,6-Dimethylbenzenethiol ; 2,6-Dimethylphenylthiol . It is a clear colorless to light yellow liquid.