Benzoyl isothiocyanate, 98%

About Benzoyl isothiocyanate, 98%

Benzoyl isothiocyanate is an organosulfur compound carrying the CAS registry number 532-55-8, specified at 98% purity. Its molecular formula is C8H5NOS and its molecular weight is 163.2 g/mol. It is also known as Benzoylthiocarbimide or Benzoylisothiocyante.

The product is provided as a liquid. Literature values give a boiling point of 128-131 °C and a density of 1.214 g/mL at 25 °C. Store in a cool, well-ventilated place, away from sources of ignition, with the container tightly sealed. It carries the GHS signal word “Danger” with 6 hazard statements. Review the Safety Data Sheet before use.

Key uses span organic synthesis and API synthesis. It is used across pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 5 g, 25 g and 1 kg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

Organic synthesis
API synthesis

Industries

Specifications & identifiers

Chemical identifiers
Product name	Benzoyl isothiocyanate, 98%
Catalogue No.	VQ-010828
CAS Number	532-55-8
IUPAC name	benzoyl isothiocyanate
Molecular formula	C₈H₅NOS
Molecular weight	163.2 g/mol
Exact mass	163.0092
Purity / assay	98%
HSN code	29309070
InChIKey	CPEKAXYCDKETEN-UHFFFAOYSA-N
SMILES	C1=CC=C(C=C1)C(=O)N=C=S
PubChem CID	68284

Physical properties
Physical form	Liquid
Appearance	Liquid
Boiling point	128-131 °C
Density	1.214 g/mL at 25 °C
LogP (XLogP3)	3.2
H-bond donors / acceptors	0 / 2
TPSA	61.5 Å²
UN number	UN 2810
Synonyms	Benzoylthiocarbimide, Benzoylisothiocyante, n-benzoyl isothiocyanate, Benzoic acid, anhydride with HNCS, Benzoic acid, anhydride with isothiocyanic acid, Benzoylisothiocyanate, Isothiocyanic Acid Benzoyl Ester, oxophenylmethanisothiocyanate, benzoyl isothiocyante, benzoyl isothiocynate, benzoyl-isothiocyanate

Safety & hazard information (GHS)

Corrosive

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H301Toxic if swallowed
H302Harmful if swallowed
H312Harmful in contact with skin
H317May cause an allergic skin reaction
H318Causes serious eye damage
H332Harmful if inhaled

Precautionary statements: P261, P264, P264 + P265, P270, P271, P272, P280, P301 + P316, P301 + P317, P302 + P352, P304 + P340, P305 + P354 + P338, P317, P321, P330, P333 + P317, P362 + P364, 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 Benzoyl isothiocyanate, 98%?

The CAS Registry Number of Benzoyl isothiocyanate, 98% is 532-55-8. It is also known as Benzoylthiocarbimide, Benzoylisothiocyante, n-benzoyl isothiocyanate.

What is the molecular formula and molecular weight of Benzoyl isothiocyanate, 98%?

Benzoyl isothiocyanate, 98% has the molecular formula C8H5NOS and a molecular weight of 163.2 g/mol. Its IUPAC name is benzoyl isothiocyanate.

Which grade and pack sizes of Benzoyl isothiocyanate, 98% can I order?

We supply Benzoyl isothiocyanate, 98% in (98%) grade, in 5 g, 25 g, 1 kg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with Benzoyl isothiocyanate, 98%?

Yes. Every lot of Benzoyl isothiocyanate, 98% 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 Benzoyl isothiocyanate, 98% be shipped internationally?

Yes. Benzoyl isothiocyanate, 98% is classified as hazardous (UN 2810), 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.