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About This Item
Linear Formula:
NCCH=CHCN
CAS Number:
Molecular Weight:
78.07
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
212-122-3
Beilstein/REAXYS Number:
969245
MDL number:
Assay:
98%
Form:
solid
Quality Level
assay
98%
form
solid
bp
186 °C (lit.)
mp
93-95 °C (lit.)
solubility
ethanol: 50 (mg/mL; colorless to yellow)
functional group
nitrile
SMILES string
N#C\C=C\C#N
InChI
1S/C4H2N2/c5-3-1-2-4-6/h1-2H/b2-1+
InChI key
KYPOHTVBFVELTG-OWOJBTEDSA-N
signalword
Danger
hcodes
pcodes
Hazard Classifications
Acute Tox. 3 Oral
Storage Class
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
Regulatory Information
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Bruno Crociani et al.
Dalton transactions (Cambridge, England : 2003), 41(40), 12490-12500 (2012-09-08)
The iminodiphosphine 2-(PPh(2))C(6)H(4)-1-CH=NC(6)H(4)-2-(PPh(2)) (P-N-P') is used for the preparation of the complexes [Pd(η(1)-CHR(1)-CH=CR(2)R(3))(P-N-P')]BF(4) [R(1) = R(2) = R(3) = H: (1); R(1) = R(2) = Ph, R(3) = H: (2); R(1) = R(3) = H, R(2) = Ph: (3); R(1)
Alicja B Veselá et al.
Applied microbiology and biotechnology, 100(5), 2193-2202 (2015-11-02)
The aim of this study was to discover new nitrilases with useful activities, especially towards dinitriles that are precursors of high-value cyano acids. Genes coding for putative nitrilases of different origins (fungal, plant, or bacterial) with moderate similarities to known
R Schlegelmilch et al.
Journal of applied toxicology : JAT, 8(3), 201-209 (1988-06-01)
Two aliphatic nitriles, acetonitrile and fumaronitrile were tested for their genotoxic potential in three mutagenicity test systems: the Salmonella/microsome-assay, an assay using Saccharomyces cerevisiae (strain D7), and the bone marrow micronucleus test. Both compounds were tested with and without metabolic
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 131016-5G | 04061832763101 |
| 131016-25G | 04061838728142 |
