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1-Butyl isothiocyanate, 98+%
CAS: 592-82-5 | C5H9NS | 115.19 g/mol
$176.29 - $511.84
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 |
| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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| Catalog Number | Mfr. No. | Quantity | Price | Quantity | |||||
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AAA1093514
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Thermo Scientific Chemicals
A1093514 |
25 g |
Each for $176.29
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AAA1093522
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Thermo Scientific Chemicals
A1093522 |
100 g |
Each for $511.84
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Description
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.
Applications1-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.
Chemical Identifiers
| 592-82-5 | |
| 115.19 | |
| LIMQQADUEULBSO-UHFFFAOYSA-N | |
| 11613 | |
| 1-isothiocyanatobutane |
| C5H9NS | |
| MFCD00004824 | |
| 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 | |
| CHEBI:50534 | |
| CCCCN=C=S |
Specifications
| 592-82-5 | |
| 63°C to 65°C (11 mmHg) | |
| Pungent | |
| 1.5 | |
| MFCD00004824 | |
| UN2922 | |
| Moisture sensitive | |
| Insoluble in water. | |
| CCCCN=C=S | |
| 115.19 | |
| CHEBI:50534 | |
| ≥98% |
| 0.954 | |
| 66°C (150°F) | |
| C5H9NS | |
| CH3(CH2)3NCS | |
| 25 g | |
| 906839 | |
| 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 | |
| LIMQQADUEULBSO-UHFFFAOYSA-N | |
| 1-isothiocyanatobutane | |
| 11613 | |
| 115.2 | |
| 1-Butyl isothiocyanate |
Safety and Handling
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.
P210-P235-P260-P264b-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P370+P378q-P501c
H227-H301+H311+H331-H314
DOTInformation : Hazard Class: 6.1; Packaging Group: II
EINECSNumber : 209-770-4
RTECSNumber : NX8420500
TSCA : Yes
Recommended Storage : Ambient temperatures; Store under Argon
RUO – Research Use Only