3,4-(Methylenedioxy)benzyl isothiocyanate, 94%, Thermo Scientific™

Description

This Thermo Scientific 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.

Applications
3,4-(Methylenedioxy)benzyl isothiocyanate is used as intermediates. Used in nucleophilic addition reactions.

Solubility
Hydrolyses in water.

Notes
Moisture Sensitive.Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from moisture, alocohol, amines, water.

Specifications

Chemical Identifiers

• CAS: 4430-47-1
• Molecular Formula: C9H7NO2S
• Molecular Weight (g/mol): 193.22
• MDL Number: MFCD00041217
• InChI Key: PUJWRDBPAFJUJW-UHFFFAOYSA-N
• Synonym: 3,4-methylenedioxy benzyl isothiocyanate, 1,3-benzodioxol-5-ylmethyl isothiocyanate, 5-isothiocyanatomethyl-1,3-benzodioxole, 3,4-methylenedioxybenzyl isothiocyanate, 5-isothiocyanatomethyl-2h-1,3-benzodioxole, 5-isothiocyanatomethyl-benzo 1,3 dioxole, 5-isothiocyanatomethyl benzo d 1,3 dioxole, acmc-20angn, pubchem9883, akos bbr-002798
• PubChem CID: 2795371
• IUPAC Name: 5-(isothiocyanatomethyl)-1,3-benzodioxole
• SMILES: S=C=NCC1=CC=C2OCOC2=C1

• Density: 1.32
• Boiling Point: 139°C to 140°C (1 mmHg)
• Odor: Pungent
• Refractive Index: 1.615
• Quantity: 1 g
• UN Number: UN2922
• Beilstein: 1428941
• Sensitivity: Moisture sensitive
• Solubility Information: Hydrolyses in water.
• Formula Weight: 193.23
• Percent Purity: 94%
• Chemical Name or Material: 3,4-(Methylenedioxy)benzyl isothiocyanate

Safety and Handling

Hazard Category	H302+H312-H314-H331-H335
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-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P501c
DOTInformation	Transport Hazard Class: 8; Packing Group: III; Proper Shipping Name: CORROSIVE LIQUIDS, TOXIC, N.O.S.
EINECSNumber	000-000-0
TSCA	No
Recommended Storage	Ambient temperatures

SDS