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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

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

PDSCL

Deleterious substance

JAN Code

138053-25G:4548173105031
138053-VAR:
138053-5G:4548173105048
138053-1G:4548173105024
138053-BULK:

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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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