tert-Butyl isothiocyanate, 97%

Description

CAS: 590-42-1 | C5H9NS | 115.19 g/mol

tert-Butyl isothiocyanate is a tool for the modification of the pore sizes on the top layer of heterostructured surface mounted metal-organic frameworks.

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
tert-Butyl isothiocyanate is a tool for the modification of the pore sizes on the top layer of heterostructured surface mounted metal-organic frameworks.

Solubility
Reacts with water.

Notes
Moisture Sensitive. Store under dry inert gas. Incompatible with amines, alcohols and water.

Specifications

Chemical Identifiers

• CAS: 590-42-1
• Molecular Formula: C5H9NS
• Molecular Weight (g/mol): 115.19
• MDL Number: MFCD00004816
• InChI Key: ZFWFRTVIIMTOLY-UHFFFAOYSA-N
• Synonym: tert-butyl isothiocyanate, t-butyl isothiocyanate, propane, 2-isothiocyanato-2-methyl, tert-butylisothiocyanate, tert.-butyl isothiocyanate, 2-isothiocyanato-2-methyl-propane, tert butyl isothiocyanate, tert-butyliso thiocyanate, butyl isothiocyanate, tert, t-butylisothiocyanate
• PubChem CID: 11544
• IUPAC Name: 2-isothiocyanato-2-methylpropane
• SMILES: CC(C)(C)N=C=S

• Melting Point: 10°C to 12°C
• Density: 0.908
• Boiling Point: 141°C to 145°C
• Flash Point: 38°C (100°F)
• Odor: Pungent
• Refractive Index: 1.481
• Quantity: 5 g
• UN Number: UN2929
• Beilstein: 1361854
• Sensitivity: Moisture sensitive
• Solubility Information: Reacts with water.
• Formula Weight: 115.2
• Percent Purity: 97%
• Chemical Name or Material: tert-Butyl isothiocyanate

Safety and Handling

Hazard Category	H226-H301+H311+H331-H314
Hazard Statement	GHS H Statement H300-H310-H330-H314-H318-H226 Fatal if swallowed. Fatal in contact with skin. Fatal if inhaled. Causes severe skin burns and eye damage. Causes serious eye damage. Flammable liquid and vapor.
Precautionary Statement	P210-P233-P235-P240-P241-P242-P243-P260-P264b-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P370+P378q-P501c
DOTInformation	Transport Hazard Class: 6.1; Packing Group: II; Proper Shipping Name: TOXIC LIQUIDS, FLAMMABLE, ORGANIC, N.O.S.
EINECSNumber	209-682-6
TSCA	Yes
Recommended Storage	Ambient temperatures

SDS

RUO – Research Use Only