4-Methoxyphenyl isothiocyanate, 98%, Thermo Scientific Chemicals

Description

4-Methoxyphenyl isothiocyanate has been used in the synthesis of 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one and 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides.

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

Applications
4-Methoxyphenyl isothiocyanate has been used in the synthesis of 3-benzyl-2-(4-methoxyphenyl)-3H-[1,2,4]triazolo-[5,1-b]quinazolin-9-one and 2-{[4-amino-3-(4-methylphenyl)-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetyl}-N-arylhydrazinecarbothioamides.

Solubility
It hydrolyzes in water.

Notes
Moisture sensitive. Incompatible with oxidizing agents, alcohols and amines.

Specifications

Chemical Identifiers

• CAS: 2284-20-0
• Molecular Formula: C8H7NOS
• Molecular Weight (g/mol): 165.21
• MDL Number: MFCD00011676
• InChI Key: VRPQCVLBOZOYCG-UHFFFAOYSA-N
• Synonym: 4-methoxyphenyl isothiocyanate, 4-methoxyphenylisothiocyanate, 1-isothiocyanato-4-methoxy-benzene, p-methoxyphenyl isothiocyanate, benzene, 1-isothiocyanato-4-methoxy, isothiocyanic acid 4-methoxyphenyl ester, 4-methoxybenzenisothiocyanate, 4-isothiocyanatoanisole, acmc-1ccqx, p-methoxyphenylisothiocyanate
• PubChem CID: 75293
• IUPAC Name: 1-isothiocyanato-4-methoxybenzene
• SMILES: COC1=CC=C(C=C1)N=C=S

• Melting Point: 18°C to 20°C
• Density: 1.196
• Boiling Point: 279°C to 281°C
• Flash Point: >110°C (230°F)
• Odor: Pungent
• Refractive Index: 1.6489
• Quantity: 2 g
• UN Number: UN2922
• Beilstein: 606967
• Sensitivity: Moisture sensitive
• Solubility Information: It hydrolyzes in water.
• Formula Weight: 165.22
• Percent Purity: 98%
• Chemical Name or Material: 4-Methoxyphenyl isothiocyanate

Safety and Handling

Hazard Category	H314
Hazard Statement	GHS H Statement H331-H314-H318-H302-H312 Toxic if inhaled. Causes severe skin burns and eye damage. Causes serious eye damage. Harmful if swallowed. Harmful in contact with skin.
Precautionary Statement	P260-P264b-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P501c
DOTInformation	Hazard Class: 8; Packaging Group: II
EINECSNumber	218-921-3
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only