1-Butyl isothiocyanate, 98+%

Description

CAS: 592-82-5 | C5H9NS | 115.19 g/mol

1-Butyl isothiocyanate participates in the synthesis and characterization of Poly(N-Propargylthiourea). Participates in the Synthesis of 2-Aminobenzothiazoles via Copper (I)-Catalyzed Cross-Coupling with Part-Per-Million Catalyst Loadings. Thiols reactions with 1-Butyl isothiocyanate in aquatic toxicity data in the TETRATOX assay and reactivity data in an abiotic thiol assay. utyl isothiocyanate has been used as capping reagent to immobilize the functionalized derivative of Oregon Green 514 molecular switch on a preformed amino self assembled monlayer.

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
1-Butyl isothiocyanate participates in the synthesis and characterization of Poly(N-Propargylthiourea). Participates in the Synthesis of 2-Aminobenzothiazoles via Copper (I)-Catalyzed Cross-Coupling with Part-Per-Million Catalyst Loadings. Thiols reactions with 1-Butyl isothiocyanate in aquatic toxicity data in the TETRATOX assay and reactivity data in an abiotic thiol assay. utyl isothiocyanate has been used as capping reagent to immobilize the functionalized derivative of Oregon Green 514 molecular switch on a preformed amino self assembled monlayer.

Solubility
Insoluble in water.

Notes
Moisture Sensitive. Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Store away from strong oxidizing agents, moisture.

Specifications

Chemical Identifiers

• CAS: 592-82-5
• Molecular Formula: C5H9NS
• Molecular Weight (g/mol): 115.19
• MDL Number: MFCD00004824
• InChI Key: LIMQQADUEULBSO-UHFFFAOYSA-N
• Synonym: butyl isothiocyanate, n-butyl isothiocyanate, butyl mustard oil, butane, 1-isothiocyanato, 1-butyl isothiocyanate, butylisothiocyanate, isothiocyanic acid, butyl ester, isothiocyanic acid n-butyl ester, 1-isothiocyanato-butane, butanisothiocyanate
• PubChem CID: 11613
• ChEBI: CHEBI:50534
• IUPAC Name: 1-isothiocyanatobutane
• SMILES: CCCCN=C=S

• Density: 0.954
• Boiling Point: 63°C to 65°C (11 mmHg)
• Flash Point: 66°C (150°F)
• Odor: Pungent
• Refractive Index: 1.5
• Linear Formula: CH₃(CH₂)₃NCS
• Quantity: 100 g
• UN Number: UN2922
• Beilstein: 906839
• Sensitivity: Moisture sensitive
• Solubility Information: Insoluble in water.
• Formula Weight: 115.2
• Percent Purity: ≥98%
• Chemical Name or Material: 1-Butyl isothiocyanate

Safety and Handling

Hazard Category	H227-H301+H311+H331-H314
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-P260-P264b-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P370+P378q-P501c
DOTInformation	Hazard Class: 6.1; Packaging Group: II
EINECSNumber	209-770-4
RTECSNumber	NX8420500
TSCA	Yes
Recommended Storage	Ambient temperatures; Store under Argon

SDS

RUO – Research Use Only