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Benzyl mercaptan

CAS 100-53-8C6H5CH2SHChemical Synthesis

Benzyl mercaptan (CAS: 100-53-8), with the molecular formula C6H5CH2SH and a molecular weight of 124.20 g/mol, is an organic sulfur compound. Also known as α-toluenethiol, this chemical serves as a versatile building block in organic synthesis. It is a key intermediate in the production of various fine chemicals and pharmaceutical compounds, valued for its reactive thiol group. It is supplied by TSS with an assay of ≥99.0% (GC).

IUPAC
α-Toluenethiol,α-Tolyl mercaptan
Synonyms
α-Toluenethiolα-Tolyl mercaptan
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Benzyl mercaptan (C6H5CH2SH) — chemical structure, CAS 100-53-8; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisOrganic Building BlocksSulfur CompoundsThiols/Mercaptans
01 /Applications

Organic Synthesis Intermediate

Benzyl mercaptan is a crucial intermediate in organic synthesis. Its thiol group readily participates in reactions like nucleophilic substitution and addition, enabling the construction of complex molecules.

Pharmaceutical Precursor

This compound is utilised in the synthesis of active pharmaceutical ingredients (APIs) and related intermediates. The benzyl and thiol functionalities are valuable for introducing specific structural motifs into drug candidates.

Fine Chemical Production

It serves as a building block for a range of fine chemicals. Its applications span the creation of specialty chemicals requiring sulfur-containing structures.

02 /Properties
Molecular weight124.20
Linear formulaC6H5CH2SH
Assay≥99.0% (GC)
Boiling point194-195 °C(lit.)
Density1.058 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.575(lit.)n20/D 1.576
Vapour density>4 (vs air)
03 /Safety & handling
GHS hazard pictogram: Toxic (GHS06)
Toxic
Danger

Hazard statements

  • H302Harmful if swallowed
  • H330Fatal if inhaled

Precautionary statements

  • P260Do not breathe dust, fume, gas, mist, vapours or spray
  • P284Wear respiratory protection
  • P310Immediately call a POISON CENTER or doctor
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point70 °C / 158 °F
Transport (UN / ADR)UN 2810 6.1 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)T
Risk statements (R)22-23
Safety statements (S)23-26-36/37/39-45

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
100-53-8
MDL number
MFCD00004867
PubChem substance
24891657
Beilstein registry
605864
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Benzyl mercaptan used for?

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Benzyl mercaptan is primarily used as a versatile building block in organic synthesis, particularly as an intermediate in the production of pharmaceuticals and fine chemicals.

What is the CAS number and formula for Benzyl mercaptan?

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The CAS number for Benzyl mercaptan is 100-53-8, and its molecular formula is C6H5CH2SH.

What grade and purity does Tech Serve Solutions supply for Benzyl mercaptan?

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Tech Serve Solutions supplies Benzyl mercaptan with an assay of ≥99.0% (GC). We do not represent this product as USP, BP, or EP grade.

What are the main hazards associated with Benzyl mercaptan?

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Benzyl mercaptan is classified as Danger, with hazards including being harmful if swallowed (H302) and fatal if inhaled (H330). Appropriate personal protective equipment and handling procedures must be followed.

How is Benzyl mercaptan packed and exported?

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Benzyl mercaptan is packed and exported according to relevant regulations for hazardous materials, classified under UN 2810, Hazard Class 6.1, Packing Group II.

How can I request a sample or quote for Benzyl mercaptan?

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To request a sample or a quote for Benzyl mercaptan, please contact our sales team via the website or direct email, providing your specific requirements.

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