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281670

4-Nitrocinnamaldehyde, predominantly trans

98%

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About This Item

Linear Formula:
O2NC6H4CH=CHCHO
CAS Number:
49678-08-2
Molecular Weight:
177.16
NACRES:
NA.22
PubChem Substance ID:
24856988
UNSPSC Code:
12352100
EC Number:
217-076-8
MDL number:
MFCD00007379
Assay:
98%
Form:
solid
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Quality Level

100

assay

98%

form

solid

mp

140-143 °C (lit.)

functional group

aldehyde, nitro

storage temp.

2-8°C

SMILES string

[H]C(=O)\C=C\c1ccc(cc1)[N+]([O-])=O

InChI

1S/C9H7NO3/c11-7-1-2-8-3-5-9(6-4-8)10(12)13/h1-7H/b2-1+

InChI key

ALGQVMMYDWQDEC-OWOJBTEDSA-N

General description

Reduction of trans-4-nitrocinnamaldehyde using the polymer-supported Hantzsch 1,4-dihydropyridine ester and a catalytic amount of HCl has been investigated.

Application

4-Nitrocinnamaldehyde has been used in the preparation of 2, 2′-[(E)-3-(4-nitrophenyl) prop-2-ene-1,1-diyl] bis(3-hydroxy-5, 5-dimethylcyclohex-2-en-1-one).

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H315,H319

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2

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
MKCT6553
MKCR2287
MKBB1020
06016PE
12715HE

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Polymer-Supported Hantzsch 1, 4-Dihydropyridine Ester: An Efficient Biomimetic Hydrogen Source.
He R, et al.
Advanced Synthesis & Catalysis, 350(1), 54-60 (2008)
Joo Hwan Cha et al.
Acta crystallographica. Section E, Structure reports online, 68(Pt 8), o2510-o2510 (2012-08-21)
In the title compound, C(25)H(29)NO(6), each of the cyclo-hexenone rings adopts a half-chair conformation. The hy-droxy and carbonyl O atoms face each other and are oriented to allow for the formation of two intra-molecular O-H⋯O hydrogen bonds. In the crystal
E Eder et al.
Mutagenesis, 6(4), 261-269 (1991-07-01)
Seventeen cinnamaldehydes, cinnamic acids, 2-furylacroleins and related compounds were tested in the Salmonella preincubation reversion assay and in the SOS chromotest. Of eight compounds containing nitrogroups, seven were clearly mutagenic in the presence of S9 mix and six in its
View All Related Papers

Global Trade Item Number

SKUGTIN
281670-1G04061825584201
281670-5G04061826225653