Toluene-d8
- Product NameToluene-d8
- CAS2037-26-5
- CBNumberCB0118240
- MFC7D8
- MW100.19
- EINECS218-009-5
- MDL NumberMFCD00044638
- MOL File2037-26-5.mol
Chemical Properties
| Melting point: | -95°C |
| Melting point: | -84 °C (lit.) |
| Boiling point: | 110,6°C |
| Boiling point: | 100 °C |
| Density | d = 0,94 |
| Density | 0.94 |
| refractive index | n 20/D 1.494 (lit.) |
| Flash point: | 4 °C |
| storage temp. | 2-8°C |
| form | clear liquid |
| Specific Gravity | 0.94 |
| color | Colorless |
| Solvent Residual Peak | 1H NMR：7.09 ppm (m), 7.01 ppm (s), 6.97 ppm (quint), 2.08 ppm (quint) 13C NMR：137.48 ppm (s), 128.87 ppm (t), 127.96 ppm (t), 125.13 ppm (t), 20.43 ppm (CH₃, sept) |
| explosive limit | 1.2-8.0%(V) |
| Water Solubility | Soluble in water.0.5 g/L (20°C) |
| BRN | 1909300 |
| Henry's Law Constant | 2.0×10-3 mol/(m3Pa) at 25℃, Hiatt (2013) |
| Stability: | Stable, but may be moisture sensitive. Highly flammable. |
| InChI | 1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3/i1D3,2D,3D,4D,5D,6D |
| InChIKey | YXFVVABEGXRONW-JGUCLWPXSA-N |
| SMILES | [2H]c1c([2H])c([2H])c(c([2H])c1[2H])C([2H])([2H])[2H] |
| CAS DataBase Reference | 2037-26-5(CAS DataBase Reference) |
| EPA Substance Registry System | Toluene-d8 (2037-26-5) |
Safety
| Symbol(GHS) |
   GHS02,GHS07,GHS08 |
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| Signal word | Danger | |||||||||
| Hazard statements | H225-H304-H315-H336-H361d-H373 | |||||||||
| Precautionary statements | P202-P210-P233-P301+P310-P303+P361+P353-P331 | |||||||||
| target organs | Central nervous system | |||||||||
| Hazard Codes | F,Xn,T | |||||||||
| Risk Statements | 11-38-48/20-63-65-67-39/23/24/25-23/24/25 | |||||||||
| Safety Statements | 36/37-46-62-45-16-7 | |||||||||
| RIDADR | UN 1294 3/PG 2 | |||||||||
| WGK Germany | 1 | |||||||||
| F | 10 | |||||||||
| Autoignition Temperature | 480℃ | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 2845900090 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications |
Aquatic Chronic 3 Asp. Tox. 1 Flam. Liq. 2 Repr. 2 Skin Irrit. 2 STOT RE 2 Inhalation STOT SE 3 |
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| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704: |
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