4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
- Product Name4-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoic acid
- CAS3130-75-4
- CBNumberCB1113646
- MFC12H11NO4
- MW233.22
- EINECS200-589-5
- MDL NumberMFCD00196079
- MOL File3130-75-4.mol
- MSDS FileSDS
Chemical Properties
| Melting point | 119-121°C |
| Boiling point | 442.1±28.0 °C(Predicted) |
| Density | 1.389 |
| storage temp. | -20°C Freezer, Under inert atmosphere |
| solubility | Chloroform (Slightly), DMSO (Slightly) |
| pka | 4.63±0.10(Predicted) |
| form | Solid |
| color | White to Off-White |
| λmax | 290nm(EtOH)(lit.) |
| InChI | InChI=1S/C12H11NO4/c14-10(15)6-3-7-13-11(16)8-4-1-2-5-9(8)12(13)17/h1-2,4-5H,3,6-7H2,(H,14,15) |
| InChIKey | HMKSXJBFBVGLJJ-UHFFFAOYSA-N |
| SMILES | C1(=O)C2=C(C=CC=C2)C(=O)N1CCCC(O)=O |
| CAS DataBase Reference | 3130-75-4(CAS DataBase Reference) |
| FDA UNII | PCM63TY4C3 |
Safety
| Symbol(GHS) |
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| Signal word | Warning | |||||||||
| Hazard statements | H315-H319 | |||||||||
| Precautionary statements | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 | |||||||||
| Hazard Codes | Xi | |||||||||
| RTECS | NR3459000 | |||||||||
| HazardClass | IRRITANT | |||||||||
| HS Code | 2933599590 | |||||||||
| NFPA 704: |
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