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(3-Nitrobenzyl)mercaptan

CAS 77472-39-0O2NC6H4CH2SHChemical Synthesis

(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
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(3-Nitrobenzyl)mercaptan (O2NC6H4CH2SH) — chemical structure, CAS 77472-39-0; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksChemical SynthesisOrganic Building BlocksSulfur CompoundsThiols/Mercaptans
01 /Applications

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.

02 /Properties
Molecular weight169.20
Linear formulaO2NC6H4CH2SH
Assay97%
Refractive indexn20/D 1.6070(lit.)
03 /Safety & handling
Protective equipmentEyeshields, Gloves, half-mask respirator (EU), half-mask respirator (US), multi-purpose combination respirator cartridge (US)
Flash point82 °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.

04 /Identifiers & registry
CAS number
77472-39-0
MDL number
MFCD00024542
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 (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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