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| IUPAC Name: | 2-isocyanato-1,3-dimethylbenzene |
| Description: | 2,6-Dimethylphenyl isocyanate (CAS# 28556-81-2) is used in the synthesis of Lidamidine Hydrochloride (L397790). It can be found in anaerobic-acidification-anoxic-aerobic (A1-A2-O) biofilm systems; a system used for treating coal coking wastewater to remove organic compounds and nitrogen. |
| Molecular Weight: | 147.17 |
| Molecular Formula: | C9H9NO |
| Canonical SMILES: | CC1=C(C(=CC=C1)C)N=C=O |
| InChI: | InChI=1S/C9H9NO/c1-7-4-3-5-8(2)9(7)10-6-11/h3-5H,1-2H3 |
| InChI Key: | YQLRKXVEALTVCZ-UHFFFAOYSA-N |
| Boiling Point: | 87-89 °C (12 mmHg) |
| Purity: | 95 % |
| Density: | 1.057 g/cm3 |
| Appearance: | Light yellow liquid |
| Storage: | 0-6 °C |
| MDL: | MFCD00002012 |
| LogP: | 2.27070 |
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