5-Benzyloxyindole-2-carboxylic acid
- Product Name5-Benzyloxyindole-2-carboxylic acid
- CAS6640-09-1
- CBNumberCB0494096
- MFC16H13NO3
- MW267.28
- EINECS229-652-6
- MDL NumberMFCD00047165
- MOL File6640-09-1.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 192 °C |
| Boiling point | 531.1±35.0 °C(Predicted) |
| Density | 1.342±0.06 g/cm3(Predicted) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| pka | 4.37±0.30(Predicted) |
| Appearance | Light brown to yellow Solid |
| BRN | 241643 |
| InChI | InChI=1S/C16H13NO3/c18-16(19)15-9-12-8-13(6-7-14(12)17-15)20-10-11-4-2-1-3-5-11/h1-9,17H,10H2,(H,18,19) |
| InChIKey | MVCLSAMNMAWXFQ-UHFFFAOYSA-N |
| SMILES | N1C2=C(C=C(OCC3=CC=CC=C3)C=C2)C=C1C(O)=O |
| CAS DataBase Reference | 6640-09-1(CAS DataBase Reference) |
| FDA UNII | QC9YQ3S9RU |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319-H335 | |||||||||
| Precautionary statements | P261-P280a-P304+P340-P305+P351+P338-P405-P501a | |||||||||
| Hazard Codes | Xi | |||||||||
| Risk Statements | 36/37/38 | |||||||||
| Safety Statements | 26-36 | |||||||||
| HS Code | 2933998090 | |||||||||
| NFPA 704: |
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