1-Octyl isothiocyanate, 97%
1-Octyl isothiocyanate, 97%
1-Octyl isothiocyanate, 97%
Thermo Scientific Chemicals

1-Octyl isothiocyanate, 97%

CAS: 4430-45-9 | C9H17NS | 171.30 g/mol
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25 g
Catalog number A14501.14
also known as A14501-14
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185.65
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Quantity:
25 g
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Price (USD)
185.65
Online Exclusive
206.00
Save 20.35 (10%)
Each
Chemical Identifiers
CAS4430-45-9
IUPAC Name1-isothiocyanatooctane
Molecular FormulaC9H17NS
InChI KeyYEZHGQZHWKJPCM-UHFFFAOYSA-N
SMILESCCCCCCCCN=C=S
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SpecificationsSpecification SheetSpecification Sheet
Appearance (Color)Clear colorless to pale yellow
FormLiquid
Assay (GC)≥96.0%
Refractive Index1.4875-1.4925 @ 20°C
1-Octyl isothiocyanate can be used to produce 1-(6-methyl-quinolin-2-yl)-3-octyl-thiourea. It is used as intermediates in pharmaceutical industry.

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-Octyl isothiocyanate can be used to produce 1-(6-methyl-quinolin-2-yl)-3-octyl-thiourea. It is used as intermediates in pharmaceutical industry.

Solubility
It hydrolyzes in water.

Notes
It is moisture sensitive. Incompatible with oxidizing agents, alcohols and amines.
RUO – Research Use Only

General References:

  1. T.Wayne Schultz; Jason W.Yarbrough; Tyler B.Pilkington. Aquatic toxicity and abiotic thiol reactivity of aliphatic isothiocyanates: Effects of alkyl-size and -shape. Environmental Toxicology and Pharmacology. 2007, 23, (1),10-17
  2. Gene A.Hiegel; Jeremiah Nguyen; Yan Zhou. Preparation of alkyl nitrates, nitrites and thiocyanates from alcohols utilizing trichloroisocyanuric acid with triphenylphosphine. Synthetic Communications: An International Journal for Rapid Communication of Synthetic Organic Chemistry. 2004, 34, (14),2507-2511