ChemicalBook--->CAS DataBase List--->49543-63-7

49543-63-7

49543-63-7 Structure

49543-63-7 Structure
IdentificationMore
[Name]

4-(tert-Butyl)benzyl mercaptan
[CAS]

49543-63-7
[Synonyms]

4-TERT-BUTYLBENZYL MERCAPTAN
[4-(TERT-BUTYL)PHENYL]METHANETHIOL
4-tert-Butylbenzylmercaptane
4-(1,1-DIMETHYLETHYL)BENZENEMETHANETHIOL
P-TERT-BUTYLBENZYL THIOL
4-tert-Butylbenzylthiol
4-tert-Butylbenzenemethanethiol
[Molecular Formula]

C11H16S
[MDL Number]

MFCD00068220
[Molecular Weight]

180.31
[MOL File]

49543-63-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

102-103 °C3.1 mm Hg(lit.)
[density ]

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

n20/D 1.5430(lit.)
[Fp ]

162 °F
[form ]

clear liquid
[pka]

9.83±0.10(Predicted)
[color ]

Colorless to Light yellow to Light orange
[InChI]

InChI=1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
[InChIKey]

UIYKSYBJKIMANV-UHFFFAOYSA-N
[SMILES]

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

49543-63-7(CAS DataBase Reference)
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
[HS Code ]

2930909899
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Sodium hydrosulfide-->Tetrabutylammonium bromide-->Benzene,1-(1,1-dimethylethyl)-4-(methylthio)-->4-tert-Butylbenzyl alcohol-->4-tert-Butylbenzaldehyde
[Preparation Products]

DI-N-OCTYL DISULFIDE
Hazard InformationBack Directory
[Chemical Properties]

Colorless or light yellow liquid
[Uses]

4-tert-Butylbenzyl mercaptan (BBSH) may be used in the preparation of N-Me-aminopyrimidinone derivatives, which are potent state-dependent inhibitor of Nav1.7 (Nav= voltage-gated sodium channel). It may also be used to synthesize organic-soluble, atomically precise array of silver clusters via a novel approach based on the miscibility principle while avoiding the use of phase-transfer agents.
[General Description]

4-tert-Butylbenzyl mercaptan is a benzyl mercaptan derivative that is commonly used as a ligand for synthesizing metal clusters.
Spectrum DetailBack Directory
[Spectrum Detail]

4-(tert-Butyl)benzyl mercaptan(49543-63-7)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

49543-63-7(sigmaaldrich)
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