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Cas Database |
| Name |
3-Nitrophenylacetylene |
EINECS | 221-232-0 |
| CAS No. | 3034-94-4 | Density | 1.22 g/cm3 |
| PSA | 45.82000 | LogP | 2.09930 |
| Solubility | N/A | Melting Point |
27 °C |
| Formula | C8H5NO2 | Boiling Point | 238.1 °C at 760 mmHg |
| Molecular Weight | 147.133 | Flash Point | 105.9 °C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
(m-Nitrophenyl)ethyne;1-Ethynyl-3-nitrobenzene;3-Nitroethynylbenzene;3-Nitrophenylacetylene;m-Nitrophenylacetylene; |
Article Data | 47 |
3-Nitrophenylacetylene 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
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