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Sulfur Compounds (Thiols, Sulfides, Sulfonates)

Allyl isothiocyanate

Available on request

Allyl isothiocyanate (CAS 57-06-7) supplier Zemixal. Request a quote with price, lead time and documents. Catalogue no. ZX-047634.

Pack sizes
Allyl isothiocyanate chemical structure
CAS number57-06-7
FormulaC4H5NS
Molar mass99.16 g/mol
InChIKeyZOJBYZNEUISWFT-UHFFFAOYSA-N
IUPAC name3-isothiocyanatoprop-1-ene

About Allyl isothiocyanate

Zemixal supplies Allyl isothiocyanate within its pharma Intermediates & Building Blocks portfolio. For your records, the material is defined by CAS 57-06-7, formula C4H5NS and molar mass 99.16 g/mol.

Where it is used

  • Organic synthesis
  • API synthesis

Storage and safety notes

Hazard communication follows GHS (Danger: H226, H301, H310 and H315). Our SDS lists exposure controls and first-aid measures.

Order it in 100 mg, 250 mg, 1 g and 5 g packs or ask for a bulk quotation. Each lot travels with a batch certificate of analysis and a 16-section SDS. Request pricing online and we confirm availability, documentation and freight to your country.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of Allyl isothiocyanate
Product nameAllyl isothiocyanate
Catalogue numberZX-047634
CAS number57-06-7
IUPAC name3-isothiocyanatoprop-1-ene
Molecular formulaC4H5NS
Molar mass99.16 g/mol
Exact mass99.0143
XLogP32.4
H-bond donors / acceptors0 / 2
Topological polar surface area44.5 Ų
InChIKeyZOJBYZNEUISWFT-UHFFFAOYSA-N
SMILESC=CCN=C=S
PubChem CID5971
SynonymsRedskin, Allylsenevol, Oleum sinapis, Allyl isosulfocyanate, 3-Isothiocyanato-1-propene, 2-Propenyl isothiocyanate, Allyspol, Carbospol, 1-Propene, 3-isothiocyanato-, Senf oel, Oleum sinapis volatile, Isothiocyanate d'allyle

Lot values are stated on the batch certificate of analysis. Ask for a typical COA with your quotation.

Safety and GHS hazards

GHS02 Flammable
Flammable
GHS06 Acute toxicity
Acute toxicity
GHS07 Irritant or harmful
Irritant or harmful
GHS09 Hazardous to the environment
Hazardous to the environment

Signal word Danger

  • H226Flammable liquid and vapor
  • H301Toxic if swallowed
  • H310Fatal in contact with skin
  • H315Causes skin irritation
  • H319Causes serious eye irritation
  • H330Fatal if inhaled
  • H400Very toxic to aquatic life
  • H410Very toxic to aquatic life with long lasting effects

Precautionary statements P210, P233, P240, P241, P242, P243, P260, P262, P264, P264 + P265, P270, P271, P273, P280, P284, P301 + P316, P302 + P352, P303 + P361 + P353, P304 + P340, P305 + P351 + P338, P316, P320, P321, P330

Classification summarised from public GHS notifications. It can vary with grade and concentration, so always follow the SDS supplied with your lot.

Pack sizes

Pack sizes of Allyl isothiocyanate
100 mgQuoted on request
250 mgQuoted on request
1 gQuoted on request
5 gQuoted on request

Need a different size? Bulk drums and custom packing are quoted on request through the quote form on this page.

Questions about Allyl isothiocyanate

Which CAS number identifies Allyl isothiocyanate?
Allyl isothiocyanate is registered under CAS 57-06-7. You may also see it listed as Redskin, Allylsenevol, Oleum sinapis. Our catalogue number for this item is ZX-047634.
What are the formula and molar mass of Allyl isothiocyanate?
For Allyl isothiocyanate, its formula is C4H5NS and its molar mass is 99.16 g/mol. The systematic (IUPAC) name is 3-isothiocyanatoprop-1-ene. InChIKey ZOJBYZNEUISWFT-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Allyl isothiocyanate?
The grade and assay are confirmed on the quotation and the batch COA. Standard packs are 100 mg, 250 mg, 1 g, 5 g. Larger quantities and custom packing can be quoted on request.
Which documents come with Allyl isothiocyanate?
Each lot ships with a batch certificate of analysis and a 16-section GHS safety data sheet. A typical COA or specification sheet can be shared with the quotation before you order.
Can Zemixal ship Allyl isothiocyanate to my country?
Yes. Because Allyl isothiocyanate is classed as hazardous, it travels in UN-approved packaging as dangerous goods under IATA or IMDG rules, with the export paperwork your broker needs.

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