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49678-08-2

49678-08-2 Structure

49678-08-2 Structure
IdentificationMore
[Name]

4-NITROCINNAMALDEHYDE
[CAS]

49678-08-2
[Synonyms]

3-(4-NITROPHENYL)-2-PROPENAL
4-NITROCINNAMALDEHYDE
4-NITROPHENYLACROLEIN
4-NITROPHENYLACRYLALDEHYDE
P-NITROCINNAMALDEHYDE
TRANS-3-(4-NITROPHENYL)-2-PROPENAL
TRANS-4-NITROCINNAMALDEHYDE
3-(4-Nitro-phenyl)-propenal
4-nitrocinnamaldehyde, predominantly trans
[EINECS(EC#)]

217-076-8
[Molecular Formula]

C9H7NO3
[MDL Number]

MFCD00007379
[Molecular Weight]

177.16
[MOL File]

49678-08-2.mol
Chemical PropertiesBack Directory
[Melting point ]

140-143 °C(lit.)
[Boiling point ]

311.6±17.0 °C(Predicted)
[density ]

1.269±0.06 g/cm3(Predicted)
[storage temp. ]

0-6°C
[solubility ]

very faint turbidity in hot EtOH
[form ]

powder to crystal
[color ]

Light yellow to Brown to Dark green
[InChI]

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

ALGQVMMYDWQDEC-OWOJBTEDSA-N
[SMILES]

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

49678-08-2(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/38:Irritating to eyes and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[WGK Germany ]

3
[RTECS ]

GD6650000
[HS Code ]

2913000090
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
Hazard InformationBack Directory
[Uses]

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).
[Synthesis Reference(s)]

Tetrahedron Letters, 26, p. 6447, 1985 DOI: 10.1016/S0040-4039(00)99023-3
[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.
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITROCINNAMALDEHYDE(49678-08-2)MS
4-NITROCINNAMALDEHYDE(49678-08-2)1HNMR
4-NITROCINNAMALDEHYDE(49678-08-2)13CNMR
4-NITROCINNAMALDEHYDE(49678-08-2)IR1
4-NITROCINNAMALDEHYDE(49678-08-2)IR2
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

49678-08-2(sigmaaldrich)
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