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Sigma-Aldrich

Tris(2-cyanoethyl)nitromethane

95%

Synonym(s):

4-(2-Cyanoethyl)-4-nitropimelonitrile, 3,3′,3″-(Nitromethylidyne)tripropionitrile, 4-(2-Cyanoethyl)-4-nitroheptanedinitrile, Nitro-tris(2-cyanoethyl)methane, Nitromethanetrispropionitrile

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About This Item

Linear Formula:
NO2C(CH2CH2CN)3
CAS Number:
Molecular Weight:
220.23
Beilstein:
1789382
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
NACRES:
NA.22

Assay

95%

form

solid

mp

111-113 °C (lit.)

SMILES string

[O-][N+](=O)C(CCC#N)(CCC#N)CCC#N

InChI

1S/C10H12N4O2/c11-7-1-4-10(14(15)16,5-2-8-12)6-3-9-13/h1-6H2

InChI key

MUPJJZVGSOUSFH-UHFFFAOYSA-N

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General description

Tris(2-cyanoethyl)nitromethane can be prepared from acrylonitrile and nitromethane using trimethyl phenyl ammonium hydroxide. Tris(2-cyanoethyl)nitromethane is an important building block for the construction of four directional C-core and in the synthesis of dendritic molecule.

Application

Tris(2-cyanoethyl)nitromethane may be used as starting reagent in the synthesis of 1-azoniatricyclo-(3,3,3,0)-undecane bromide.

Pictograms

Exclamation mark

Signal Word

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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Synthesis of 1-azoniatricyclo-(3, 3, 3, 0)-undecane bromide.
Sorm F and Beranek J.
Collection of Czechoslovak Chemical Communications, 19(2), 298-304 (1954)
The crystal structure of 2-amino-5, 5'-bis (?-cyanoethyl)-1, 2-pyrrolenineN-oxide monohydrate.
Newkome GR, et al.
Journal of Chemical Crystallography, 25(9), 569-571 (1995)

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