ChemicalBook--->CAS DataBase List--->2396-68-1

2396-68-1

2396-68-1 Structure

2396-68-1 Structure
IdentificationMore
[Name]

4-TERT-BUTYLTHIOPHENOL
[CAS]

2396-68-1
[Synonyms]

4-(TERT-BUTYL)BENZENE-1-THIOL
4-TERT-BUTYLBENZENETHIOL
4-TERT-BUTYLTHIOPHENOL
P-TERT-BUTYLBENZENETHIOL
P-TERT-BUTYLTHIOPHENOL
p-tert-butyl-benzenethio
P-t-Butyl ThioPhenol
4-tert-Butylthiophenol, 97+%
P-TERT-BUTYLPHENYLMERCAPTAN
4-tert-Butylbenzolthiol
Benzenethiol,4-(1,1-dimeth
4-TERT-BUTYLTHIOPHENOL 98.0%MIN
4-(1,1-Dimethylethyl)benzenethiol
[EINECS(EC#)]

219-255-6
[Molecular Formula]

C10H14S
[MDL Number]

MFCD00022067
[Molecular Weight]

166.28
[MOL File]

2396-68-1.mol
Chemical PropertiesBack Directory
[Appearance]

clear colorless liquid
[Melting point ]

-11 °C
[Boiling point ]

238 °C(lit.)
[density ]

0.964 g/mL at 25 °C(lit.)
[refractive index ]

n20/D 1.5480(lit.)
[Fp ]

>230 °F
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

clear liquid
[pka]

6.76±0.10(Predicted)
[color ]

Colorless to Light yellow
[Water Solubility ]

Insoluble in water.
[Sensitive ]

Air Sensitive
[BRN ]

606476
[InChI]

1S/C10H14S/c1-10(2,3)8-4-6-9(11)7-5-8/h4-7,11H,1-3H3
[InChIKey]

GNXBFFHXJDZGEK-UHFFFAOYSA-N
[SMILES]

CC(C)(C)c1ccc(S)cc1
[CAS DataBase Reference]

2396-68-1(CAS DataBase Reference)
[EPA Substance Registry System]

Benzenethiol, 4-(1,1-dimethylethyl)- (2396-68-1)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

UN 3334
[WGK Germany ]

3
[RTECS ]

DC1025000
[Hazard Note ]

Harmful/Irritant
[HS Code ]

29309090
[Storage Class]

10 - Combustible liquids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

clear colorless liquid
[Uses]

4-tert-butylthiophenol is used as a pharmaceutical intermediate.
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 31, p. 3980, 1966 DOI: 10.1021/jo01350a023
Spectrum DetailBack Directory
[Spectrum Detail]

4-TERT-BUTYLTHIOPHENOL(2396-68-1)MS
4-TERT-BUTYLTHIOPHENOL(2396-68-1)1HNMR
4-TERT-BUTYLTHIOPHENOL(2396-68-1)IR1
4-TERT-BUTYLTHIOPHENOL(2396-68-1)IR2
4-TERT-BUTYLTHIOPHENOL(2396-68-1)ESR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

4-tert-Butylthiophenol, 97%(2396-68-1)
[Sigma Aldrich]

2396-68-1(sigmaaldrich)
[TCI AMERICA]

4-tert-Butylbenzenethiol,>97.0%(GC)(2396-68-1)
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