4-Methoxybenzyl isothiocyanate, 95%

Description

CAS: 3694-57-3 | C₉H₉NOS | 179.24 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: 3694-57-3
• Molecular Formula: C₉H₉NOS
• Molecular Weight (g/mol): 179.24
• MDL Number: MFCD00041117
• InChI Key: IMFQYAJJXFXVMM-UHFFFAOYSA-N
• Synonym: 4-methoxybenzyl isothiocyanate, 1-isothiocyanatomethyl-4-methoxybenzene, 4-methoxybenzylisothiocyanate, benzene, 1-isothiocyanatomethyl-4-methoxy, p-methoxybenzyl isothiocyanate, 1-isothiocyanatomethyl-4-methoxy-benzene, chembl81201, 4-methoxybenzyl isothiocyanate 5gr, acmc-1cq6l
• PubChem CID: 123197
• IUPAC Name: 1-(isothiocyanatomethyl)-4-methoxybenzene
• SMILES: COC1=CC=C(C=C1)CN=C=S

• CAS Min %: 95.0
• Color: White
• Density: 1.0872g/mL
• Boiling Point: 170.0°C to 175.0°C (16.0 mmHg)
• Infrared Spectrum: Authentic
• Assay Percent Range: 94% min. (GC)
• Packaging: Glass bottle
• Refractive Index: 1.5910 to 1.5980
• Quantity: 5 g
• Beilstein: 13, IV, 1747
• Specific Gravity: 1.0872
• Formula Weight: 179.24
• Percent Purity: 95%
• Physical Form: Crystalline Powder and/or Chunks
• Chemical Name or Material: 4-Methoxybenzyl isothiocyanate, 95%

Safety and Handling

Hazard Category	GHS Signal Word: Warning
Hazard Statement	GHS H Statement Harmful in contact with skin. Causes serious eye irritation. Harmful if swallowed. Causes skin irritation. Harmful if inhaled. May cause respiratory irritation.
Precautionary Statement	GHS P Statement Wear protective gloves/protective clothing/eye protection/face protection. IF ON SKIN: Wash with plenty of soap and water. IF SWALLOWED: rinse mouth. Do NOT induce vomiting. Call a POISON CENTER or doctor/physicia

SDS

RUO – Research Use Only