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138053

Sigma-Aldrich

1-Adamantanecarbonitrile

97%

Synonym(s):

1-Cyanoadamantane

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About This Item

Empirical Formula (Hill Notation):
C11H15N
CAS Number:
23074-42-2
Molecular Weight:
161.24
EC Number:
245-413-9
MDL number:
MFCD00074731
UNSPSC Code:
12352100
PubChem Substance ID:
24848231
NACRES:
NA.22

Quality Level

100

Assay

97%

mp

193-196 °C (lit.)

SMILES string

N#CC12CC3CC(CC(C3)C1)C2

InChI

1S/C11H15N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-6H2/t8-,9+,10-,11-

InChI key

FQFZASRJFRAEIH-BIBSGERRSA-N

General description

1-Adamantanecarbonitrile reacts with W2(OCMe3)6 to yield W(CAd)(OCMe3)3 (Ad=1-adamantyl).

Application

1-Adamantanecarbonitrile was used as starting reagent for the synthesis of adamantyl-l,3,4-oxathiazol-2-one.

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302 + H312

Hazard Classifications

Acute Tox. 4 Dermal - Acute Tox. 4 Oral

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBW8410V
MKBH6301V
01604BD
10112MC
16329KA

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α-Hydrogen migration reactions in tungsten (VI) cyclopentadienyl alkylidyne complexes.
Warren TH, et al.
Journal of Organometallic Chemistry, 569(1), 125-137 (1998)
The selective complexation of adamantane nitriles by tungsten pentacarbonyl.
Jefford VJ, et al.
Canadian Journal of Chemistry, 74(1), 107-113 (1996)
M Flämig et al.
The Journal of chemical physics, 151(22), 224507-224507 (2019-12-16)
The dynamics of cyanoadamantane (CN-ADA) in its plastically crystalline phase encompasses three processes: overall tumbling of the rigid molecule, rotation around the molecular symmetry axis, and vacancy diffusion. This makes CN-ADA a prototypical case to be studied by field-cycling as

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