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5153-68-4

5153-68-4 Structure

5153-68-4 Structure
IdentificationMore
[Name]

TRANS-4-METHYL-BETA-NITROSTYRENE
[CAS]

5153-68-4
[Synonyms]

1-(4-METHYLPHENYL)-2-NITROETHENE
1-(4-METHYLPHENYL)-2-NITROETHYLENE
1-METHYL-4-(2-NITROVINYL)BENZENE
1-(P-TOLYL)-2-NITROETHYLENE
4'-METHYL-BETA-NITROSTYRENE
4-METHYL-OMEGA-NITROSTYRENE
4-METHYL-W-NITROSTYRENE
TRANS-4-METHYL-BETA-NITROSTYRENE
1-(4-Methylphenyl)-2-nitroethylene~1-(p-Tolyl)-2-nitroethylene
trans-4-methyl-á-nitrostyrene
trans-4-methyl-β-nitrostyrene
trans-4-Methyl-^b-nitrostyrene, 98%
[Molecular Formula]

C9H9NO2
[MDL Number]

MFCD00024828
[Molecular Weight]

163.17
[MOL File]

5153-68-4.mol
Chemical PropertiesBack Directory
[Melting point ]

102-104 °C (lit.)
[Boiling point ]

275.0±9.0 °C(Predicted)
[density ]

1.141±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[Appearance]

Off-white to light yellow Solid
[Water Solubility ]

Sparingly Soluble in water (0.070 g/L) (25°C).
[BRN ]

1864209
[InChI]

1S/C9H9NO2/c1-8-2-4-9(5-3-8)6-7-10(11)12/h2-7H,1H3/b7-6+
[InChIKey]

JSPNBERPFLONRX-VOTSOKGWSA-N
[SMILES]

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

5153-68-4(CAS DataBase Reference)
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system 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
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Eye Irrit. 2
Skin Irrit. 2
STOT SE 3
Hazard InformationBack Directory
[Uses]

trans-4-Methyl-β-nitrostyrene may be used as a reagent in the synthesis of N-benzylpyrrolomorphinans. It is also used as an organic intermediate for pharmaceutical.
[General Description]

trans-4-Methyl-β-nitrostyrene ((E)-1-methyl-4-(2-nitrovinyl)benzene) is a nitrolefin. Its asymmetric Michael addition with benzaldehyde in the presence of silylated pyrrolidine catalyst has been reported. Its hydrogenation in the presence of Pd(II) complexes of (Z)-2-((quinolin-3-ylimino)methyl)phenol as catalyst has been studied.
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-4-METHYL-BETA-NITROSTYRENE(5153-68-4)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

trans-4-Methyl-beta-nitrostyrene, 98%(5153-68-4)
[Sigma Aldrich]

5153-68-4(sigmaaldrich)
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