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| CAS No.: | 201595-60-0 |
|---|---|
| Name: | 1,3-DINITROBENZENE (13C6) |
| Molecular Structure: | |
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|
|
| Formula: | C6H4N2O4 |
| Molecular Weight: | 174.16 |
| Synonyms: | 1, 3-Dinitro(13C6)benzene; |
| Density: | 1.486 g/cm3 |
| Melting Point: | 88-90 °C (lit.) |
| Boiling Point: | 297 °C at 760 mmHg |
| Flash Point: | 150℃ |
| Hazard Symbols: |
 T+
|
| Risk Codes: | 5-26/27/28-33-40 |
| Safety: | 22-36/37/39-45 |
| Transport Information: | UN 3443 |
| PSA: | 91.64000 |
| LogP: | 2.54940 |
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Specification
The Benzene-13C6, 1, 3-dinitro- (9CI), with the CAS registry number 201595-60-0, is also known as 1, 3-Dinitrobenzene-13C6. It belongs to the product categories of Alphabetical Listings; D; Stable Isotopes. This chemical's molecular formula is C6H4N2O4 and molecular weight is 174.16. What's more, its systematic name is 1, 3-Dinitro(13C6)benzene. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be kept away from oxidant, oxidant, reductant.
Physical properties about Benzene-13C6, 1, 3-dinitro- (9CI) are: (1)#H bond acceptors: 0; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 0; (4)Index of Refraction: 1.612; (5)Molar Refractivity: 39.34 cm3; (6)Molar Volume: 113.1 cm3; (7)Polarizability: 15.59×10-24 cm3; (8)Surface Tension: 62.6 dyne/cm; (9)Density: 1.486 g/cm3.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is very toxic by inhalation, in contact with skin and if swallowed. In addition, this chemical causes an explosion by heating. And it has the danger of cumulative effects. Besides, the dust of this chemical can not be breathed. During using it, wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
(2) InChI: InChI=1/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
(3) InChIKey: WDCYWAQPCXBPJA-IDEBNGHGEZ