(3-Nitrobenzyl)mercaptan
(3-Nitrobenzyl)mercaptan (CAS: 77472-39-0, Formula: O2NC6H4CH2SH) is a thiol compound with a molecular weight of 169.20 g/mol. This organic building block is characterised by its nitro and mercaptan functional groups. It serves as a valuable intermediate in organic synthesis, particularly for introducing the 3-nitrobenzylthio moiety into various molecular structures. Its chemical properties make it a useful reagent in research and development settings.
- IUPAC
- (3-Nitrophenyl)methanethiol
- Synonyms
- (3-Nitrophenyl)methanethiol

Organic Synthesis Intermediate
This compound is employed as a key building block in the synthesis of more complex organic molecules. Its mercaptan group allows for facile reactions, such as S-alkylation or thioester formation.
Research and Development
Used in laboratory settings for exploring novel synthetic pathways and developing new chemical entities. It's a useful reagent for introducing a nitrobenzyl group with a reactive sulfur handle.
Chemical Reagent
Serves as a specialised reagent in academic and industrial research for chemical transformations requiring a protected thiol or a nitro-activated benzyl unit.
| Molecular weight | 169.20 |
|---|---|
| Linear formula | O2NC6H4CH2SH |
| Assay | 97% |
| Refractive index | n20/D 1.6070(lit.) |
| Protective equipment | Eyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US) |
|---|---|
| Flash point | 82 °C / 179.6 °F |
| Transport (UN / ADR) | UN 3334 |
| Water hazard class (WGK, DE) | 3 |
Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.
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.
What is (3-Nitrobenzyl)mercaptan used for?
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(3-Nitrobenzyl)mercaptan is primarily used as an intermediate in organic synthesis and in research and development for creating complex organic molecules and exploring new chemical entities.
What are the CAS number and formula for (3-Nitrobenzyl)mercaptan?
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The CAS number for (3-Nitrobenzyl)mercaptan is 77472-39-0, and its linear formula is O2NC6H4CH2SH.
What grade and purity does Tech Serve Solutions supply?
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Tech Serve Solutions supplies (3-Nitrobenzyl)mercaptan with an assay of 97%. We do not represent this product as USP, BP, or EP grade.
How should (3-Nitrobenzyl)mercaptan be handled safely?
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Safe handling requires appropriate personal protective equipment, including eyeshields, gloves, and a suitable respirator. Consult the Safety Data Sheet for comprehensive handling and hazard information, as it is combustible with a flash point of 82 °C (179.6 °F).
Is (3-Nitrobenzyl)mercaptan a controlled substance?
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The provided data does not indicate that (3-Nitrobenzyl)mercaptan is a controlled substance.
How is (3-Nitrobenzyl)mercaptan packed and shipped?
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(3-Nitrobenzyl)mercaptan is shipped as UN 3334. Specific packing details are available upon request, and TSS exports globally.
How can I request a quote or sample?
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To request a quote or sample of (3-Nitrobenzyl)mercaptan, please contact our sales team through the website or by phone.
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