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100-13-0

100-13-0 Structure

100-13-0 Structure
IdentificationMore
[Name]

4-NITROSTYRENE
[CAS]

100-13-0
[Synonyms]

1-NITRO-4-VINYL-BENZENE
4-NITROSTYRENE
1-ethenyl-4-nitro-benzen
1-ethenyl-4-nitrobenzene
p-nitro-styren
4-Nitrostyrene, GC 97%
4-NITROSTYRENE(STABILIZED WITH TBC)
1-(p-Nitrophenyl)ethene
1-Vinyl-4-nitrobenzene
4-Ethenyl-1-nitrobenzene
p-Nitrostyrene
[Molecular Formula]

C8H7NO2
[MDL Number]

MFCD00041254
[Molecular Weight]

149.15
[MOL File]

100-13-0.mol
Chemical PropertiesBack Directory
[Melting point ]

20°C
[Boiling point ]

120°C 10mm
[density ]

1.163
[Fp ]

109°C
[refractive index ]

1.6045
[storage temp. ]

Freezer
[solubility ]

soluble in Ether,Methanol,Chloroform,Ethanol
[form ]

powder to lump
[color ]

Light yellow to Yellow
[Water Solubility ]

Insoluble in water.
[Sensitive ]

Light Sensitive
[Detection Methods]

HPLC,GC
[InChI]

InChI=1S/C8H7NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h2-6H,1H2
[InChIKey]

YFZHODLXYNDBSM-UHFFFAOYSA-N
[SMILES]

C1(C=C)=CC=C([N+]([O-])=O)C=C1
[CAS DataBase Reference]

100-13-0(CAS DataBase Reference)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)Health Hazard (GHS08)
GHS07,GHS08
[Signal word ]

Warning
[Hazard statements ]

H302-H312-H315-H319-H332-H341
[Precautionary statements ]

P280h-P305+P351+P338
[Risk Statements ]

R20/21/22:Harmful by inhalation, in contact with skin and if swallowed .
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 .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
[RTECS ]

WL5470000
[HazardClass ]

IRRITANT
[HS Code ]

29042090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Ethanol-->Methanol-->Diethyl ether-->Tetrahydrofuran-->Chloroform-->Pyridine-->Iodomethane-->Triphenylphosphine-->Malonic acid-->Copper-->Quinoline-->DBU-->4-Nitrobenzaldehyde-->Tetramethylguanidine
[Preparation Products]

1-Butanone, 4-(4-nitrophenyl)-1-phenyl-
Hazard InformationBack Directory
[Chemical Properties]

Yellow to brown low melting solid
[Uses]

Can be used to introduce amino groups into polymers. The thermal degradation of styrene-4-nitrostyrene copolymers (SNS) has been studied using differential thermal analysis (DTA) and thermogravimetry (TGA) under isothermal and dynamic conditions in dynamic nitrogen. 4?Nitrostyrene gives isomeric (4-nitropheny1)-propiona1dehydes in a 96% yield.
[Synthesis Reference(s)]

Chemical and Pharmaceutical Bulletin, 36, p. 4622, 1988 DOI: 10.1248/cpb.36.4622
Tetrahedron Letters, 23, p. 957, 1982 DOI: 10.1016/S0040-4039(00)86993-2
[Purification Methods]

Crystallise it from CHCl3/hexane. Purify it by addition of MeOH to precipitate the polymer, then crystallise it at -40o from MeOH. It has also been crystallised from EtOH. [Bernasconi et al. J Am Chem Soc 108 4541 1986, Beilstein 5 H 478, 5 III 1180, 5 IV 1351.]
Spectrum DetailBack Directory
[Spectrum Detail]

4-NITROSTYRENE(100-13-0)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

100-13-0(sigmaaldrich)
[TCI AMERICA]

4-Nitrostyrene  (stabilized with TBC),>95.0%(GC)(100-13-0)
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