| Identification | Back Directory | [Name]
4-(BOC-PIPERAZIN-1-YL)-3-NITROBENZOIC A& | [CAS]
870703-72-3 | [Synonyms]
1-Piperazinecarboxylic acid, 4-(4-carboxy-2-nitrophenyl)-, 1-(1,1-dimethylethyl) ester
1-Boc-4-(4-carboxy-2-nitrophenyl)piperazine, 4-[(tert-Butoxycarbonyl)-piperazin-1-yl]-3-nitrobenzoic acid | [Molecular Formula]
C16H21N3O6 | [MDL Number]
MFCD07369744 | [MOL File]
870703-72-3.mol | [Molecular Weight]
351.35 |
| Chemical Properties | Back Directory | [Melting point ]
199-203 °C (dec.)(lit.) | [Boiling point ]
529.2±50.0 °C(Predicted) | [density ]
1.329±0.06 g/cm3(Predicted) | [form ]
solid | [pka]
4.48±0.10(Predicted) | [InChI]
1S/C16H21N3O6/c1-16(2,3)25-15(22)18-8-6-17(7-9-18)12-5-4-11(14(20)21)10-13(12)19(23)24/h4-5,10H,6-9H2,1-3H3,(H,20,21) | [InChIKey]
CYGRJUZYSXUAMM-UHFFFAOYSA-N | [SMILES]
CC(C)(C)OC(=O)N1CCN(CC1)c2ccc(cc2[N+]([O-])=O)C(O)=O |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
36/37/38 | [Safety Statements ]
26-36 | [WGK Germany ]
3 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
|
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