ChemicalBook--->CAS DataBase List--->4946-14-9

4946-14-9

4946-14-9 Structure

4946-14-9 Structure
IdentificationMore
[Name]

(4-Isopropyl)thiophenol
[CAS]

4946-14-9
[Synonyms]

4-ISOPROPYLBENZENETHIOL
4-ISOPROPYLTHIOPHENOL
P-ISOPROPYLBENZENETHIOL
P-ISOPROPYL THIOPHENOL
(4-Isopropyl)thiophenol,95%
4-Isopropyl
(4-ISOPROPYL)THIOPHENOL/4-ISOPROPYLBENZENETHIOL
4-iso-Propylphenyl mercaptan
4-Propan-2-ylbenzenethiol
[EINECS(EC#)]

625-591-8
[Molecular Formula]

C9H12S
[MDL Number]

MFCD00041505
[Molecular Weight]

152.26
[MOL File]

4946-14-9.mol
Chemical PropertiesBack Directory
[Boiling point ]

99-100 °C14 mm Hg(lit.)
[density ]

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

n20/D 1.552(lit.)
[Fp ]

223 °F
[storage temp. ]

Refrigerator
[form ]

clear liquid
[pka]

6.79±0.10(Predicted)
[color ]

Colorless to Light yellow
[Specific Gravity]

0.979
[Sensitive ]

Stench
[BRN ]

1906198
[InChI]

InChI=1S/C9H12S/c1-7(2)8-3-5-9(10)6-4-8/h3-7,10H,1-2H3
[InChIKey]

APDUDRFJNCIWAG-UHFFFAOYSA-N
[SMILES]

C1(S)=CC=C(C(C)C)C=C1
[CAS DataBase Reference]

4946-14-9(CAS DataBase Reference)
[NIST Chemistry Reference]

4-Isopropylthiophenol(4946-14-9)
Safety DataBack Directory
[Hazard Codes ]

C
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R34:Causes burns.
[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 2922 8/PG 2
[WGK Germany ]

3
[HazardClass ]

8
[PackingGroup ]

III
[HS Code ]

29309090
Raw materials And Preparation ProductsBack Directory
[Preparation Products]

S-METHYL-S-(4-ISOPROPYLPHENYL) SULFOXIMINE-->4-ISOPROPYLBENZENESULFONYL CHLORIDE
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

(4-Isopropyl)thiophenol(4946-14-9).msds
Hazard InformationBack Directory
[Chemical Properties]

Clear colorless liquid
[Uses]

(4-Isopropyl)thiophenol is an important raw material and intermediate used in organic synthesis, pharmaceuticals agrochemicals and dyestuff fields.
[General Description]

4-Isopropylbenzenethiol is an aromatic thiol. It undergoes oxidation in the presence of activated carbon and xylene to afford the corresponding disulfide. 4-Isopropylbenzenethiol reacts with 2-chloro-3-formylquinolines and NaH in DMSO to afford the corresponding 2-(4-isopropylphenylthio)quinoline-3-carbaldehyde.
Spectrum DetailBack Directory
[Spectrum Detail]

(4-Isopropyl)thiophenol(4946-14-9)1HNMR
(4-Isopropyl)thiophenol(4946-14-9)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

(4-Isopropyl)thiophenol, 95%(4946-14-9)
[Sigma Aldrich]

4946-14-9(sigmaaldrich)
[TCI AMERICA]

4-Isopropylbenzenethiol,>94.0%(GC)(4946-14-9)
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