ChemicalBook--->CAS DataBase List--->3034-94-4

3034-94-4

3034-94-4 Structure

3034-94-4 Structure
IdentificationBack Directory
[Name]

3-NITROPHENYLACETYLENE
[CAS]

3034-94-4
[Synonyms]

Fentanyl Impurity 1
3-NITROPHENYLACETYLENE
3-NITROPHENL ACETYLENE
1-(3-Nitrophenyl)ethyne
1-Nitro-3-ethynylbenzene
3-Nitrophenylacetylene 3-
1-ETHYNYL-3-NITRO-BENZENE
Benzene, 1-ethynyl-3-nitro-
Erlotinib Hydrochloride iMpurity 33
Benzene, 1-ethynyl-3-nitro- (6CI, 7CI, 8CI, 9CI)
[EINECS(EC#)]

221-232-0
[Molecular Formula]

C8H5NO2
[MDL Number]

MFCD02181150
[MOL File]

3034-94-4.mol
[Molecular Weight]

147.13
Chemical PropertiesBack Directory
[Melting point ]

27 °C
[Boiling point ]

120 °C(Press: 11 Torr)
[density ]

1.22±0.1 g/cm3(Predicted)
[refractive index ]

1.59
[Fp ]

106.00°C
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

clear liquid
[color ]

White to Yellow to Green
[InChI]

InChI=1S/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H
[InChIKey]

JOUOQPWPDONKKS-UHFFFAOYSA-N
[SMILES]

C1(C#C)=CC=CC([N+]([O-])=O)=C1
[EPA Substance Registry System]

Benzene, 1-ethynyl-3-nitro-(3034-94-4)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
[TSCA ]

TSCA listed
[HS Code ]

2921490090
Raw materials And Preparation ProductsBack Directory
[Raw materials]

trimethyl((3-nitrophenyl)ethynyl)silane-->2-methyl-4-(3-nitrophenyl)-3-butyn-2-ol-->3-(3-NITRO-PHENYL)-PROP-2-YN-1-OL-->3-Bromonitrobenzene-->3-Nitrobenzaldehyde-->1-Iodo-3-nitrobenzene-->Dimethyl (1-Diazo-2-oxopropyl)phosphonate-->Acetylene-->Nitrobenzene-->3-Nitroacetophenone-->Trimethylsilylacetylene
[Preparation Products]

3-Ethynylaniline-->1,3,3-Trimethyl-2,3-dihydro-1H-indole-2-one-->3-Vinylaniline-->3'-NITROACETANILIDE
Hazard InformationBack Directory
[Uses]

3-Nitrophenylacetylene is used as a reactant in a proof-of-concept catalytic reaction to evaluate the catalytic performance of the synthesized mesoporous intermetallic compound.
[References]

[1] Lv, H., Qin, H., Ariga, Prof. K., Yamauchi, Prof. Y., & Liu, Prof. B. (2022). A General Concurrent Template Strategy for Ordered Mesoporous Intermetallic Nanoparticles with Controllable Catalytic Performance. Angewandte Chemie, 134 17. https://doi.org/10.1002/ange.202116179
Spectrum DetailBack Directory
[Spectrum Detail]

3-NITROPHENYLACETYLENE(3034-94-4)1HNMR
3-NITROPHENYLACETYLENE(3034-94-4)FT-IR
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