424749
trans-β-Methyl-β-nitrostyrene
99%
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About This Item
Linear Formula:
C6H5CH=C(CH3)NO2
CAS Number:
Molecular Weight:
163.17
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
MDL number:
Assay:
99%
Form:
solid
InChI
1S/C9H9NO2/c1-8(10(11)12)7-9-5-3-2-4-6-9/h2-7H,1H3/b8-7+
SMILES string
[H]\C(=C(\C)[N+]([O-])=O)c1ccccc1
InChI key
WGSVFWFSJDAYBM-BQYQJAHWSA-N
assay
99%
form
solid
mp
63-65 °C (lit.)
functional group
amine, nitro, phenyl
storage temp.
2-8°C
Quality Level
Related Categories
General description
trans-β-Methyl-β-nitrostyrene (1-phenyl-2-nitropropene), a nitrostyrene derivative is an α,β-disubstituted nitroalkene. It has been synthesized by reacting benzaldehyde with nitroethane and butylamine. Spectroscopic analysis of 1-phenyl-2-nitropropene has been done using FT-IR, FT-Raman, NMR and UV.
signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
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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Spectroscopic (FT-IR, FT-Raman, UV and NMR) Investigation on 1-Phenyl-2-Nitropropene by Quantum Computational Calculations.
Xavier S and Periandy S.
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy (2015)
Nitro alkene derivatives.
Hass HB, et al.
The Journal of Organic Chemistry, 15(1), 8-14 (1950)
Tundo P and Andraos J
Green Syntheses, 119-119 (2014)
Organocatalytic diastereo- and enantioselective sulfa-Michael addition to α,β-disubstituted nitroalkenes
Pei QL, et al.
Tetrahedron, 69, 5367-5373 (2013)
Gas chromatographic and mass spectral analysis of amphetamine products synthesized from 1-phenyl-2-nitropropene.
DeRuiter J, et al.
Journal of Chromatographic Science, 32(11), 511-519 (1994)
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