Benzoyl isothiocyanate, 98%

Description

CAS: 532-55-8 | C₈H₅NOS | 163.2 g/mol

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.

Specifications

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

Safety and Handling

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