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143367

1-Adamantyl isothiocyanate

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About This Item

Empirical Formula (Hill Notation):
C11H15NS
CAS Number:
4411-26-1
Molecular Weight:
193.31
NACRES:
NA.22
PubChem Substance ID:
24848581
UNSPSC Code:
12352100
EC Number:
224-564-4
MDL number:
MFCD00074736
Assay:
99%
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Quality Segment

assay

99%

mp

166-168 °C (lit.)

functional group

isothiocyanate

SMILES string

S=C=NC12CC3CC(CC(C3)C1)C2

InChI

1S/C11H15NS/c13-7-12-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-

InChI key

YPKFLUARLJRPQM-BIBSGERRSA-N

General description

1-Adamantyl isothiocyanate undergoes nucleophilic addition reaction with pyrrolidine, piperidine, 3-hydroxypiperidine and 4-hydroxypiperidine to yield N′,N′-disubstituted N-(1-adamantyl)-thiourea derivatives.

Application

1-Adamantyl isothiocyanate was used in the synthesis of:
  • tris(2-mercapto-1-adamantylimidazolyl)hydroborato ligand
  • 1-adamantyl-3-(2-(7-methoxy-1,2,3,4-tetrahydroacridin-9-ylamino)alkane)thiourea 2,3-dihydroxysuccinates

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class

11 - Combustible Solids

WGK

WGK 3

Flash Point (°F)

Not applicable

Flash Point (°C)

Not applicable

PPE (personal protective equipment)

dust mask type N95 (US), Eyeshields, Gloves

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