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4411-25-0

4411-25-0 Structure

4411-25-0 Structure
IdentificationMore
[Name]

1-ADAMANTYL ISOCYANATE
[CAS]

4411-25-0
[Synonyms]

1-ADAMANTYL ISOCYANATE
RARECHEM AQ TC 1023
1-Admantyl Isocyanate
1-Isocyanatoadamantane
1-ADAMANTYL ISOCYANATE 98%
1-isocyantoadamantane
Adamantane-1-yl isocyanate
[Molecular Formula]

C11H15NO
[MDL Number]

MFCD00134405
[Molecular Weight]

177.24
[MOL File]

4411-25-0.mol
Chemical PropertiesBack Directory
[Appearance]

White powder
[Melting point ]

144-146 °C (lit.)
[Boiling point ]

309.18°C (rough estimate)
[density ]

1.0290 (rough estimate)
[refractive index ]

1.5302 (estimate)
[solubility ]

soluble in Acetone
[form ]

Powder
[color ]

White
[CAS DataBase Reference]

4411-25-0(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S27:Take off immediately all contaminated clothing .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RIDADR ]

2206
[WGK Germany ]

3
[HazardClass ]

6.1(b)
[PackingGroup ]

III
[HS Code ]

29291090
Hazard InformationBack Directory
[Chemical Properties]

White powder
[Uses]

1-Adamantyl isocyanate may be used in the preparation of:
  • adamantyl-functionalized nanoparticles, via thiol-isocyanate reaction of thiol-modified nanoparticles1 4-[3-(aryl or -cycloalkyl)ureido]butyryl compound
  • 4-(3-adamantan-1-yl-ureido)butyric acid, via reaction with 4-aminobutanoic acid in DMF
  • 4-(3-adamantan-1-yl-ureido)butyryloxy compound
  • 12-(3-adamantan-1-yl-ureido) dodecanoic acid (AUDA)
  • adamantyl-phenylsulfonamide ureas
  • 1-adamantan-1-yl-3-(hydroxyalkyl)ureas, via reaction with with hydroxyalkylamines
[Synthesis Reference(s)]

The Journal of Organic Chemistry, 55, p. 4282, 1990 DOI: 10.1021/jo00301a014
[General Description]

1-Adamantyl isocyanate is an isocyanate derivative.
[Purification Methods]

Recrystallise the isocyanate from n-hexane and sublime it. Irritant. [Stetter & Wulff Chem Ber 95 2302 1962.]
Spectrum DetailBack Directory
[Spectrum Detail]

1-ADAMANTYL ISOCYANATE(4411-25-0)1HNMR
1-ADAMANTYL ISOCYANATE(4411-25-0)Raman
1-ADAMANTYL ISOCYANATE(4411-25-0)IR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

1-Adamantyl isocyanate, 98%(4411-25-0)
[Sigma Aldrich]

4411-25-0(sigmaaldrich)
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