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143367

1-Adamantyl isothiocyanate

Name: 1-Adamantyl isothiocyanate
Brand: ALDRICH

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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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Properties

Quality Segment

200

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

Description

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

GHS07

signalword

Warning

hcodes

H302 + H312 + H332,H315,H319,H335

pcodes

P261 - P280 - P301 + P312 - P302 + P352 + P312 - P304 + P340 + P312 - P305 + P351 + P338

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

dust mask type N95 (US), Eyeshields, Gloves

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