4430-45-9

Basic information

• Product Name: OCTYL ISOTHIOCYANATE
• Synonyms: OCTYL ISOTHIOCYANATE;N-OCTYL ISOTHIOCYANATE;1-OCTYL ISOTHIOCYANATE;n-Octyl isothiocyanate, 97+%;Octane, 1-isothiocyanato-;OCTYLACRYLATE;Isothiocyanic acid octyl ester;Octyl isothiocyate, 99%
• CAS NO: 4430-45-9
• Molecular Formula: C₉H₁₇NS
• Molecular Weight: 171.3
• EINECS: 224-625-5
• Mol File: 4430-45-9.mol

Chemical Properties

• Boiling Point: 125 °C (7 mmHg)
• Flash Point: 94 °C
• Appearance: clear yellow liquid
• Density: 0.88
• Vapor Pressure: 0.0451mmHg at 25°C
• Refractive Index: 1.49
• Water Solubility: It hydrolyzes in water.
• Sensitive: Moisture Sensitive
• BRN: 1760783
• CAS DataBase Reference: OCTYL ISOTHIOCYANATE(CAS DataBase Reference)
• NIST Chemistry Reference: OCTYL ISOTHIOCYANATE(4430-45-9)
• EPA Substance Registry System: OCTYL ISOTHIOCYANATE(4430-45-9)

Safety Data

• Hazard Codes: Xn,T
• Statements: 36/37/38-20/21/22-34-25-20/21
• Safety Statements: 36/37/39-26-45
• RIDADR: 2810
• HazardClass: 8
• PackingGroup: III
• Hazardous Substances Data: 4430-45-9(Hazardous Substances Data)

Usage

Description

Octyl isothiocyanate is a clear yellow liquid that serves as an important intermediate in the pharmaceutical industry due to its unique chemical properties.

Uses

Used in Pharmaceutical Industry:
Octyl isothiocyanate is used as an intermediate for the production of 1-(6-methyl-quinolin-2-yl)-3-octyl-thiourea, a compound with potential applications in the development of pharmaceuticals. Its role in the synthesis process is crucial for creating compounds that can be further utilized in the treatment of various medical conditions.

InChI:InChI=1/C9H17NS/c1-2-3-4-5-6-7-8-10-9-11/h2-8H2,1H3