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CAS No.: | 22482-43-5 |
---|---|
Name: | 2,6-DICHLORO-OMEGA-NITROSTYRENE |
Article Data: | 10 |
Molecular Structure: | |
Formula: | C8H5Cl2NO2 |
Molecular Weight: | 218.039 |
Synonyms: | 1-(2,6-Dichlorophenyl)-2-nitroethylene 98%; |
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: | XiXnN |
Risk Codes: | 22-51/53 |
Safety: | 61 |
Transport Information: | UN 3077 |
PSA: | 45.82000 |
LogP: | 3.76400 |
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The Benzene,1,3-dichloro-2-(2-nitroethenyl)-, with the CAS registry number of 22482-43-5, is also known as 1-(2,6-Dichlorophenyl)-2-nitroethylene 98%. This chemical's molecular formula is C8H5Cl2NO2 and molecular weight is 218.04. What's more, its IUPAC name is 1,3-Dichloro-2-[(E)-2-nitroethenyl]benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place.
Physical properties about the Benzene,1,3-dichloro-2-(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)Surface Tension: 50.1 dyne/cm; (11)Density: 1.447 g/cm3; (12)Flash Point: 153.7 °C; (13)Enthalpy of Vaporization: 55.04 kJ/mol; (14)Boiling Point: 330.6 °C at 760 mmHg; (15)Vapour Pressure: 0.000316 mmHg at 25 °C.
Uses: it is used to produce other chemicals. For example, it is used to produce 2-(2,6-Dichloro-phenyl)-4H-benzo[1,4]thiazin-3-one oxime. This reaction needs reagent SmI2. Meanwhile, it needs solvents Tetrahydrofuran and Tetrahydrofuran. The reaction time is 5 min with reaction temperature of 20 °C. The yield is about 71 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is harmful if swallowed. And it is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cccc(Cl)c1/C=C/[N+]([O-])=O
(2) InChI: InChI=1/C8H5Cl2NO2/c9-7-2-1-3-8(10)6(7)4-5-11(12)13/h1-5H/b5-4+
(3) InChIKey: VXNHQIKJDIOBEC-SNAWJCMRBM
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 706mg/kg (706mg/kg) | Archives of Environmental Contamination and Toxicology. Vol. 14, Pg. 111, 1985. |