| Identification | More | [Name]
4-BROMOBENZYL MERCAPTAN | [CAS]
19552-10-4 | [Synonyms]
4-BROMOBENZYL MERCAPTAN
4-Bromobenzylmercaptane
(4-bromophenyl)methanethiol
(4-Bromophenyl)methanethiol, 4-Bromo-α-toluenethiol | [Molecular Formula]
C7H7BrS | [MDL Number]
MFCD03701566 | [Molecular Weight]
203.1 | [MOL File]
19552-10-4.mol |
| Chemical Properties | Back Directory | [Melting point ]
27-31 °C (lit.) | [Boiling point ]
110 °C(Press: 0.5 Torr) | [density ]
1.493±0.06 g/cm3(Predicted) | [Fp ]
>230 °F
| [refractive index ]
1.6170 | [form ]
solid | [pka]
9.32±0.10(Predicted) | [color ]
Off-white | [Sensitive ]
Air Sensitive | [InChI]
InChI=1S/C7H7BrS/c8-7-3-1-6(5-9)2-4-7/h1-4,9H,5H2 | [InChIKey]
CUCKXDPCCYHFMQ-UHFFFAOYSA-N | [SMILES]
C1(CS)=CC=C(Br)C=C1 | [CAS DataBase Reference]
19552-10-4(CAS DataBase Reference) |
| Safety Data | Back Directory | [Safety Statements ]
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes . | [RIDADR ]
UN2811 | [WGK Germany ]
3
| [HazardClass ]
6.1 | [PackingGroup ]
III | [HS Code ]
2930909899 |
| Hazard Information | Back Directory | [Uses]
4-Bromobenzyl mercaptan may be used to synthesize 4-bromotoluene via desulfurization with molybdenum hexacarbonyl [Mo(CO)6] in tetrahydrofuran. |
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