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560456

2-Piperidinoethyl isothiocyanate

95%

Synonym(s):

1-(2-Isothiocyanatoethyl)-piperidine, 2-(1-Piperidinyl)ethyl isothiocyanate

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About This Item

Empirical Formula (Hill Notation):
C8H14N2S
CAS Number:
32813-24-4
Molecular Weight:
170.28
UNSPSC Code:
12352100
PubChem Substance ID:
24879866
MDL number:
MFCD00041232
Assay:
95%
Form:
liquid
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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

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

pictograms

Skull and crossbones
GHS06

signalword

Danger

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

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

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Certificates of Analysis (COA)

Lot/Batch Number
MKCD5987
MKBR3214V
MKBL7357V
MKBJ5253V
MKBH4931V

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Diversity oriented synthesis of tri-substituted methane containing aminouracil and hydroxynaphthoquinone/hydroxycoumarin moiety using organocatalysed multicomponent reactions in aqueous medium.
Bharti R and Parvin T.
Royal Society of Chemistry Advances, 5(82), 66833-66839 (2015)

Global Trade Item Number

SKUGTIN
560456-1G04061837775963