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| CAS No.: | 120355-50-2 |
|---|---|
| Name: | 2,6-DICHLORO-OMEGA-NITROSTYRENE |
| Article Data: | 1 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H5Cl2NO2 |
| Molecular Weight: | 218.04 |
| Synonyms: | 1,3-Dichloro-2-[(E)-2-nitroethenyl]benzene;2-((1E)-2-nitrovinyl)-1,3-dichlorobenzene;trans-2,6-Dichloro-β-nitrostyrene;1-(2,6-Dichlorophenyl)-2-nitroethene; |
| EINECS: | -0 |
| Density: | 1.447 g/cm3 |
| Melting Point: | 63-67 °C(lit.) |
| Boiling Point: | 330.6 °C at 760 mmHg |
| Flash Point: | 153.7 °C |
| Hazard Symbols: |
 Xn, N
|
| Risk Codes: | 22-51/53 |
| Safety: | 61 |
| PSA: | 45.82000 |
| LogP: | 3.76400 |
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Specification
The Benzene,1,3-dichloro-5-[(1E)-2-nitroethenyl]-, with the CAS registry number 120355-50-2, is also known as 1-(2,6-Dichlorophenyl)-2-nitroethene. It belongs to the product categories of Alkenyl; Halogenated Hydrocarbons; Organic Building Blocks. This chemical's molecular formula is C8H5Cl2NO2 and molecular weight is 218.04. What's more, its systematic name is 1,3-dichloro-2-[(E)-2-nitroethenyl]benzene.
Physical properties of Benzene,1,3-dichloro-5-[(1E)-2-nitroethenyl]- are: (1)ACD/LogP: 2.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 45.82 Å2; (7)Index of Refraction: 1.626; (8)Molar Refractivity: 53.32 cm3; (9)Molar Volume: 150.5 cm3; (10)Polarizability: 21.13×10-24cm3; (11)Surface Tension: 50.1 dyne/cm; (12)Density: 1.447 g/cm3; (13)Flash Point: 153.7 °C; (14)Enthalpy of Vaporization: 55.04 kJ/mol; (15)Boiling Point: 330.6 °C at 760 mmHg; (16)Vapour Pressure: 0.000316 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause damage to health. It may present an immediate or delayed danger to one or more components of the environment. The product is also harmful if swallowed. What's more, it is toxic to aquatic organisms. It may cause long-term adverse effects in the aquatic environment. Moreover, the chemical may cause harm to the unborn child.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cccc(Cl)c1/C=C/[N+]([O-])=O
(2)Std. InChI: InChI=1S/C8H5Cl2NO2/c9-7-2-1-3-8(10)6(7)4-5-11(12)13/h1-5H/b5-4+
(3)Std. InChIKey: VXNHQIKJDIOBEC-SNAWJCMRSA-N