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HomeProduct name list1-ADAMANTYL ISOTHIOCYANATE

1-ADAMANTYL ISOTHIOCYANATE

  • CAS NO.:4411-26-1
  • Empirical Formula: C11H15NS
  • Molecular Weight: 193.31
  • MDL number: MFCD00074736
  • EINECS: 224-564-4
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2023-06-08 17:06:34
1-ADAMANTYL ISOTHIOCYANATE Structural

What is 1-ADAMANTYL ISOTHIOCYANATE?

Chemical properties

white crystalline powder

The Uses of 1-ADAMANTYL ISOTHIOCYANATE

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

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.

Purification Methods

Dissolve it in Et2O, wash with H2O, dry (Na2SO4), evaporate and sublime the residue in a vacuum at 140o, then recrystallise it from MeOH. Irritant. [Stetter & Wulff Chem Ber 95 2302 1962.]

Properties of 1-ADAMANTYL ISOTHIOCYANATE

Melting point: 166-168 °C (lit.)
Density  1.35
refractive index  1.5500 (estimate)
form  powder to crystal
color  White to Orange to Green
CAS DataBase Reference 4411-26-1(CAS DataBase Reference)

Safety information for 1-ADAMANTYL ISOTHIOCYANATE

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for 1-ADAMANTYL ISOTHIOCYANATE

InChIKey YPKFLUARLJRPQM-UHFFFAOYSA-N

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