560456

2-Piperidinoethyl isothiocyanate

95%

• Synonym(s): 1-(2-Isothiocyanatoethyl)-piperidine, 2-(1-Piperidinyl)ethyl isothiocyanate
• Empirical Formula (Hill Notation): C₈H₁₄N₂S
• CAS Number: 32813-24-4
• Molecular Weight: 170.28
• MDL number: MFCD00041232
• UNSPSC Code: 12352100
• PubChem Substance ID: 24879866

Properties

• assay: 95%
• form: liquid
• refractive index: n20/D 1.5350 (lit.)
• bp: 104-105 °C (lit.)
• density: 1.030 g/mL at 25 °C (lit.)
• storage temp.: 2-8°C
• SMILES string: S=C=NCCN1CCCCC1
• InChI: 1S/C8H14N2S/c11-8-9-4-7-10-5-2-1-3-6-10/h1-7H2
• InChI key: KMTVCPOROYMLTN-UHFFFAOYSA-N

Description

Application

2-Piperidinoethyl isothiocyanate may be used to synthesize 1-(1-benzylpiperidin-4-yl)-3-(2-(piperidin-1-yl)ethyl)thiourea, a bifunctional thiourea based organocatalyst.

Reactant for synthesis of:

• Urea and thiourea derivatvies as antmalarial chemotherapeutics
• Neuropeptides S antagonist
• N-substituted imidazoles
• Thio-containing compounds

Safety Information

• pictograms: GHS06
• signalword: Danger
• hcodes: H301,H315,H319,H335
• pcodes: P301 + P310 + P330 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Acute Tox. 3 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 6.1D - Non-combustible acute toxic Cat.3 / toxic hazardous materials or hazardous materials causing chronic effects
• wgk_germany: WGK 3
• flash_point_f: 230.0 °F - closed cup
• flash_point_c: 110 °C - closed cup
• ppe: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter