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| CAS No.: | 3034-94-4 |
|---|---|
| Name: | 3-NITROPHENYLACETYLENE |
| Article Data: | 47 |
| Molecular Structure: | |
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| Formula: | C8H5NO2 |
| Molecular Weight: | 147.133 |
| Synonyms: | (m-Nitrophenyl)ethyne;1-Ethynyl-3-nitrobenzene;3-Nitroethynylbenzene;3-Nitrophenylacetylene;m-Nitrophenylacetylene; |
| EINECS: | 221-232-0 |
| Density: | 1.22 g/cm3 |
| Melting Point: | 27 °C |
| Boiling Point: | 238.1 °C at 760 mmHg |
| Flash Point: | 105.9 °C |
| PSA: | 45.82000 |
| LogP: | 2.09930 |
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Specification
The 3-Nitrophenylacetylene ,its cas register number is 3034-94-4.It also can be called as 1-Ethynyl-3-nitrobenzene and the IUPAC name about this chemical is 1-Ethynyl-3-nitrobenzene .It belongs to the pharmacetical. Preparation Products about this chemical is 3-Aminophenylacetylene .
Following are the chemical properties about 3-Nitrophenylacetylene :(1)#H bond acceptors: 3 ; (2)#H bond donors: 0 ; (3)#Freely Rotating Bonds: 1 ; (4)Polar Surface Area: 45.82Å2 ; (5)Index of Refraction: 1.579 ; (6)Molar Refractivity: 39.84 cm3 ; (7)Molar Volume: 119.7 cm3 ; (8)Polarizability: 15.79x10-24cm3 ; (9)Surface Tension: 51.1 dyne/cm ; (10)Enthalpy of Vaporization: 45.57 kJ/mol ; (11)Vapour Pressure: 0.0664 mmHg at 25°C
This chemical can be described computed from structure:
(1)Canonical SMILES: C#CC1=CC(=CC=C1)[N+](=O)[O-]
(2)InChI: InChI=1S/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H
(3)InChIKey: JOUOQPWPDONKKS-UHFFFAOYSA-N