Introduction：Basic information about CAS 180976-94-7|2-[5-METHOXY-2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-ACETONITRILE, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-[5-METHOXY-2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]-ACETONITRILE |
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| CAS Number | 180976-94-7 | Molecular Weight | 251.278 |
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| Density | 1.2±0.1 g/cm3 | Boiling Point | 343.9±35.0 °C at 760 mmHg |
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| Molecular Formula | C13H17NO4 | Melting Point | / |
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| MSDS | / | Flash Point | 161.8±25.9 °C |
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Names
| Name | 3-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
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| Boiling Point | 343.9±35.0 °C at 760 mmHg |
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| Molecular Formula | C13H17NO4 |
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| Molecular Weight | 251.278 |
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| Flash Point | 161.8±25.9 °C |
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| Exact Mass | 251.115753 |
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| PSA | 75.63000 |
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| LogP | 3.57 |
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| Vapour Pressure | 0.0±0.8 mmHg at 25°C |
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| Index of Refraction | 1.569 |
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| InChIKey | DATSAXPXARPPIG-UHFFFAOYSA-N |
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| SMILES | Cc1cc(C(=O)O)ccc1NC(=O)OC(C)(C)C |
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Synonyms
| 4-((tert-Butoxycarbonyl)amino)-3-methylbenzoic acid |
| Benzoic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-3-methyl- |
| N-Boc-4-amino-3-methylbenzoic acid |
| 3-Methyl-4-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)benzoic acid |
