Benzoyl isothiocyanate, 98%, Thermo Scientific Chemicals

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Chemical Identifiers

CAS

532-55-8

Molecular Formula

C₈H₅NOS

Molecular Weight (g/mol)

163.2

MDL Number

MFCD00004815

InChI Key

CPEKAXYCDKETEN-UHFFFAOYSA-N

Synonym

benzoylthiocarbimide, benzoylisothiocyanate, benzoylisothiocyante, isothiocyanic acid benzoyl ester, unii-u8j7q32b86, n-benzoyl isothiocyanate, benzoic acid, anhydride with hncs, benzoic acid, anhydride with isothiocyanic acid, oxophenylmethanisothiocyanate, 1-benzoyl acetone

PubChem CID

68284

IUPAC Name

benzoyl isothiocyanate

SMILES

C1=CC=C(C=C1)C(=O)N=C=S

CAS Min %

97.5

CAS Max %

100.0

Density

1.2100g/mL

Boiling Point

128.0°C to 131.0°C (15.0 mmHg)

Flash Point

>110°C

Infrared Spectrum

Authentic

Assay Percent Range

97.5% min. (GC)

Packaging

Glass bottle

Refractive Index

1.6350 to 1.6370

Linear Formula

C₆H₅CONCS

Quantity

5 g

Beilstein

09, IV, 777

Specific Gravity

1.21

Merck Index

15, 1117

Solubility Information

Solubility in water: almost insoluble. Other solubilities: soluble in chloroform,carbon tetrachloride,,dioxane

Formula Weight

163.2

Percent Purity

98%

Physical Form

Liquid

Chemical Name or Material

Benzoyl isothiocyanate

Hazard Category

GHS Signal Word: Danger

Hazard Statement

GHS H Statement
Causes serious eye damage.
Toxic if swallowed.
May cause an allergic skin reaction.
Contact with acids liberates very toxic gas.

Precautionary Statement

GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.
Continue rinsing.
Immediately

EINECSNumber

208-540-

SDS

Hazard Category

GHS Signal Word: Danger

Hazard Statement

GHS H Statement
Causes serious eye damage.
Toxic if swallowed.
May cause an allergic skin reaction.
Contact with acids liberates very toxic gas.

Precautionary Statement

GHS P Statement
Wear protective gloves/protective clothing/eye protection/face protection.
IF IN EYES: Rinse cautiously with water for several minutes.
Remove contact lenses,if present and easy to do.
Continue rinsing.
Immediately

EINECSNumber

208-540-

SDS

RUO – Research Use Only