| Identification | More | [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 Properties | Back 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 Data | Back 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 |
| Hazard Information | Back 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. |
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