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Sulfur Compounds (Thiols, Sulfides, Sulfonates)

Benzyl isothiocyanate

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Order Benzyl isothiocyanate (CAS 622-78-6) online at Zemixal. Request a quote with price, lead time and documents. Quotes within one business day.

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Benzyl isothiocyanate chemical structure
CAS number622-78-6
FormulaC8H7NS
Molar mass149.21 g/mol
HS code2933
InChIKeyMDKCFLQDBWCQCV-UHFFFAOYSA-N
IUPAC nameisothiocyanatomethylbenzene

About Benzyl isothiocyanate

Benzyl isothiocyanate sits in our sulfur Compounds (Thiols, Sulfides, Sulfonates) section and ships worldwide from stock or short lead time. Identity at a glance: CAS 622-78-6, formula C8H7NS and molar mass 149.21 g/mol.

Where it is used

  • Organic synthesis
  • API synthesis

Handling and storage

Hazard communication follows GHS (Warning: H319 and H335). Our SDS lists exposure controls and first-aid measures.

Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and custom quantities are quoted on request. Every shipment includes a batch certificate of analysis and a 16-section SDS. Add it to your quote list and our team replies with price, lead time and shipping options within one business day.

Typical uses

  • Organic synthesis
  • API synthesis

Applications

Pharmaceutical Manufacturing and QCResearch Labs and Universities

Specifications and identifiers

Specifications of Benzyl isothiocyanate
Product nameBenzyl isothiocyanate
Catalogue numberZX-040477
CAS number622-78-6
IUPAC nameisothiocyanatomethylbenzene
Molecular formulaC8H7NS
Molar mass149.21 g/mol
Exact mass149.0299
XLogP33.2
H-bond donors / acceptors0 / 2
Topological polar surface area44.5 Ų
HS code2933
InChIKeyMDKCFLQDBWCQCV-UHFFFAOYSA-N
SMILESC1=CC=C(C=C1)CN=C=S
PubChem CID2346
Synonyms(Isothiocyanatomethyl)benzene, Benzene, (isothiocyanatomethyl)-, Isothiocyanic acid, benzyl ester, phenylmethyl isothiocyanate, PMITC cpd, Isothiocyanic Acid Benzyl Ester, AB 2 (VAN), alpha-isothiocyanatotoluene, (isothiocyanatomethyl)-benzene, 1-(isothiocyanatomethyl)benzene

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

Safety and GHS hazards

GHS07 Irritant or harmful
Irritant or harmful

Signal word Warning

  • H319Causes serious eye irritation
  • H335May cause respiratory irritation

Precautionary statements P261, P264 + P265, P271, P280, P304 + P340, P305 + P351 + P338, P319, P337 + P317, P403 + P233, P405, P501

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 Benzyl 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 Benzyl isothiocyanate

Which CAS number identifies Benzyl isothiocyanate?
Benzyl isothiocyanate is registered under CAS 622-78-6. You may also see it listed as (Isothiocyanatomethyl)benzene, Benzene, (isothiocyanatomethyl)-, Isothiocyanic acid, benzyl ester. Our catalogue number for this item is ZX-040477.
What are the formula and molar mass of Benzyl isothiocyanate?
For Benzyl isothiocyanate, its formula is C8H7NS and its molar mass is 149.21 g/mol. The systematic (IUPAC) name is isothiocyanatomethylbenzene. InChIKey MDKCFLQDBWCQCV-UHFFFAOYSA-N lets you match it in any structure database.
What grade and pack sizes are available for Benzyl 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 Benzyl 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 Benzyl isothiocyanate to my country?
Yes. Because Benzyl 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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