| Identification | More | [Name]
4-NITROPHENYLACETYLENE | [CAS]
937-31-5 | [Synonyms]
1-ETHYNYL-4-NITROBENZENE
4-NITROPHENYLACETYLENE
Benzene, 1-ethynyl-4-nitro-(6CI, 7CI, 8CI, 9CI) | [Molecular Formula]
C8H5NO2 | [MDL Number]
MFCD00024794 | [Molecular Weight]
147.13 | [MOL File]
937-31-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Light Yellow Solid | [Melting point ]
148-150 °C(lit.)
| [Boiling point ]
246.6±23.0 °C(Predicted) | [density ]
1.22±0.1 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [solubility ]
Ethanol, Ether | [form ]
Solid | [color ]
Light Yellow | [λmax]
286nm(CH2Cl2)(lit.) | [InChI]
InChI=1S/C8H5NO2/c1-2-7-3-5-8(6-4-7)9(10)11/h1,3-6H | [InChIKey]
GAZZTEJDUGESGQ-UHFFFAOYSA-N | [SMILES]
C1(C#C)=CC=C([N+]([O-])=O)C=C1 | [CAS DataBase Reference]
937-31-5(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
Light Yellow Solid | [Uses]
4-Nitrophenylacetylene (cas# 937-31-5) is a compound useful in organic synthesis. | [Synthesis Reference(s)]
Tetrahedron, 62, p. 6673, 2006 DOI: 10.1016/j.tet.2005.12.077 | [Synthesis]
4-Nitrophenylacetylene is synthesized in two steps. Step 1: 1-Iodo-4-nitrobenzene and (trimethylsilyl)acetylene react in DMF at 50°C in the presence of Pd(PPh3)2Cl2, CuI, and Et3N to yield [4-(nitrophenyl)ethynyl]trimethylsilane. Step 2: This silyl deriva |
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