1-Hexyl isothiocyanate, 97%, Thermo Scientific Chemicals

Description

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.

Specifications

Chemical Identifiers

• CAS: 4404-45-9
• Molecular Formula: C7H13NS
• Molecular Weight (g/mol): 143.248
• MDL Number: MFCD00014445
• InChI Key: WXYAXKKXIGHXDS-UHFFFAOYSA-N
• Synonym: hexyl isothiocyanate, n-hexyl isothiocyanate, hexane, 1-isothiocyanato, 1-hexyl isothiocyanate, hexylisothiocyanate, isothiocyanic acid, hexyl ester, unii-2s7c3ga0z5, 1-hexylisothiocyanate, 1-isothiocyanato-hexane, hexanisothiocyanate
• PubChem CID: 78120
• IUPAC Name: 1-isothiocyanatohexane
• SMILES: CCCCCCN=C=S

• Density: 0.933
• Boiling Point: 216°C
• Flash Point: 90°C (194°F)
• Odor: Pungent
• Refractive Index: 1.4915
• Quantity: 5 g
• UN Number: UN2922
• Beilstein: 1751837
• Sensitivity: Moisture sensitive
• Formula Weight: 143.25
• Percent Purity: 97%
• Chemical Name or Material: 1-Hexyl isothiocyanate

Safety and Handling

Hazard Category	H227-H301+H311+H331-H315-H319-H335
Hazard Statement	GHS H Statement H331-H314-H318-H227-H302-H312 Toxic if inhaled. Causes severe skin burns and eye damage. Causes serious eye damage. Combustible liquid. Harmful if swallowed. Harmful in contact with skin.
Precautionary Statement	P210-P235-P261-P264b-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P311-P312-P330-P332+P313-P361-P363-P370+P378q-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: III
EINECSNumber	224-549-2
TSCA	No
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only