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Benzene,1-ethynyl-3-nitro- (3034-94-4)

Identification
Name:Benzene,1-ethynyl-3-nitro-
Synonyms:(m-Nitrophenyl)ethyne;1-Ethynyl-3-nitrobenzene;3-Nitroethynylbenzene;3-Nitrophenylacetylene;m-Nitrophenylacetylene;
CAS:3034-94-4
EINECS: 221-232-0
Molecular Formula: C8H5NO2
Molecular Weight: 147.13
InChI: InChI=1/C8H5NO2/c1-2-7-4-3-5-8(6-7)9(10)11/h1,3-6H
Molecular Structure: (C8H5NO2) (m-Nitrophenyl)ethyne;1-Ethynyl-3-nitrobenzene;3-Nitroethynylbenzene;3-Nitrophenylacetylene;m-Nitrop...
Properties
Density:1.22g/cm3
Refractive index:1.579
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

Safety Data