4-tert-Butylbenzyl mercaptan

ALDRICH/548715

Synonym: 4-tert-Butylbenzenemethanethiol; 4-tert-Butylbenzylthiol; 4-tert-Butylphenylmethanethiol; p-tert-Butylbenzenemethanethiol; p-tert-Butylbenzyl mercaptan

CAS Number: 49543-63-7
Empirical Formula (Hill Notation): C₁₁H₁₆S
Molecular Weight: 180.31
MDL Number: MFCD00068220
Linear Formula: (CH₃)₃CC₆H₄CH₂SH
Product Type: Chemical

Catalog Number	PKG Qty.	Price


45-548715-25G	25 g	$61.00 1/EA	Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

bp	102-103 °C/3.1 mmHg (lit.)
density	0.966 g/mL at 25 °C (lit.)
InChI	1S/C11H16S/c1-11(2,3)10-6-4-9(8-12)5-7-10/h4-7,12H,8H2,1-3H3
InChI key	UIYKSYBJKIMANV-UHFFFAOYSA-N
refractive index	n20/D 1.5430 (lit.)
SMILES string	CC(C)(C)c1ccc(CS)cc1

Application:	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.
Application:	Reactant for: • Stereoselective thiourea-catalyzed sulfa-Michael addition • Nucleophilic substitution reactions • Urea-catalyzed trans-thioesterification • Sc-catalyzed Michael addition • Copper-catalyzed decarboxylative cross-coupling
General description:	4-tert-Butylbenzyl mercaptan is a benzyl mercaptan derivative that is commonly used as a ligand for synthesizing metal clusters.
Packaging:	25 g in glass bottle

Symbol	GHS07
Signal word	Warning
Hazard statements	H315 - H319 - H335
Precautionary statements	P302 + P352 - P305 + P351 + P338
Hazard Codes	Xi
Risk Statements	36/37/38
Safety Statements	26-36
RIDADR	UN 3334
WGK Germany	WGK 3
Flash Point(F)	162.0 °F - closed cup
Flash Point(C)	72.2 °C - closed cup

bp	102-103 °C/3.1 mmHg (lit.)
Density	0.966 g/mL at 25 °C (lit.)
Refractive Index	n20/D 1.5430 (lit.)
UNSPSC	12352100

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