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| Chemical manufacturer | ||||
| Name | 2-Nitrocinnamic Acid |
|---|---|
| Synonyms | N-Hydroxy-2-[(E)-3-Hydroxy-3-Oxoprop-1-Enyl]Benzeneamine Oxide; 3-(2-Nitrophenyl)Prop-2-Enoic Acid; N-Hydroxy-2-[(E)-3-Hydroxy-3-Oxo-Prop-1-Enyl]Benzeneamine Oxide |
| Molecular Structure |  |
| Molecular Formula | C9H7NO4 |
| Molecular Weight | 193.16 |
| CAS Registry Number | 1013-96-3 |
| SMILES | C1=CC=CC(=C1\C=C\C(O)=O)[N+](=O)[O-] |
| InChI | 1S/C9H7NO4/c11-9(12)6-5-7-3-1-2-4-8(7)10(13)14/h1-6H,(H,11,12)/b6-5+ |
| InChIKey | BBQDLDVSEDAYAA-AATRIKPKSA-N |
| Density | 1.4±0.1g/cm3 (Cal.) |
|---|---|
| Melting point | 242-245°C (Expl.) |
| Boiling point | 383.3±25.0°C at 760 mmHg (Cal.) |
| Flash point | 171.8±11.6°C (Cal.) |
| Safety Code | S26;S37 Details |
|---|---|
| Risk Code | R36/37/38 Details |
| Hazard Symbol |  X Details |
| Safety Description | WARNING: Irritates lungs, eyes, skin |
| SDS | Available |
| (1) | Graham Smith and Urs D. Wermuth . Sodium 2-nitrocinnamate dihydrate: a one-dimensional hydrogen-bonded coordination polymer , Acta Cryst (2009). E65, m1048Â Â |
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| List of Reports Available for 2-Nitrocinnamic Acid |