Benzyl isothiocyanate

Name: Benzyl isothiocyanate
Brand: Vaqora Chemicals
SKU: VQ-050414

About Benzyl isothiocyanate

Listed under CAS 622-78-6, Benzyl isothiocyanate is an organosulfur compound available from Vaqora Chemicals. Its molecular formula is C8H7NS and its molecular weight is 149.21 g/mol. Its systematic (IUPAC) name is isothiocyanatomethylbenzene. It is also known as (Isothiocyanatomethyl)benzene or Benzene, (isothiocyanatomethyl)-.

Keep the container tightly sealed and store it in a cool, dry area. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Typical applications include organic synthesis and API synthesis. Our customers for this product work in pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 100 mg, 250 mg, 1 g and 5 g, and every batch ships with a Certificate of Analysis (COA) and we export worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Benzyl isothiocyanate
Catalogue No.	VQ-050414
CAS Number	622-78-6
IUPAC name	isothiocyanatomethylbenzene
Molecular formula	C₈H₇NS
Molecular weight	149.21 g/mol
Exact mass	149.0299
HSN code	2933
InChIKey	MDKCFLQDBWCQCV-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)CN=C=S
PubChem CID	2346

Physical properties
Physical form	Other
LogP (XLogP3)	3.2
H-bond donors / acceptors	0 / 2
TPSA	44.5 Å²
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

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

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 is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of Benzyl isothiocyanate?

The CAS Registry Number of Benzyl isothiocyanate is 622-78-6. It is also known as (Isothiocyanatomethyl)benzene, Benzene, (isothiocyanatomethyl)-, Isothiocyanic acid, benzyl ester.

What is the molecular formula and molecular weight of Benzyl isothiocyanate?

Benzyl isothiocyanate has the molecular formula C8H7NS and a molecular weight of 149.21 g/mol. Its IUPAC name is isothiocyanatomethylbenzene.

Which grade and pack sizes of Benzyl isothiocyanate can I order?

We supply Benzyl isothiocyanate, in 100 mg, 250 mg, 1 g, 5 g packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Benzyl isothiocyanate?

Yes. Every lot of Benzyl isothiocyanate is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can Benzyl isothiocyanate be shipped internationally?

Yes. Benzyl isothiocyanate is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.