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Merck
CN

357944

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:
1466-48-4
Molecular Weight:
220.23
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24861951
EC Number:
215-983-3
Beilstein/REAXYS Number:
1789382
MDL number:
MFCD00013830
Assay:
95%
Form:
solid

Key Documents

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InChI key

MUPJJZVGSOUSFH-UHFFFAOYSA-N

InChI

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

SMILES string

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

assay

95%

form

solid

Quality Level

100

functional group

amine, nitrile, nitro

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
GHS07

signalword

Warning

Hazard Classifications

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

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW7911
MKBD2271V
MKBD2271
02515PW
07623KQ

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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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