33878-70-5
| Name | (S)-5-(Pyrrolidin-2-yl)-1H-tetrazole |
| CAS | 33878-70-5 |
| Molecular Formula | C5H9N5 |
| MDL Number | MFCD10000886 |
| Molecular Weight | 139.16 |
| MOL File | 33878-70-5.mol |
Chemical Properties
| Melting point | 271 °C |
| Boiling point | 335.4±52.0 °C(Predicted) |
| density | 1.301±0.06 g/cm3(Predicted) |
| refractive index | -8 ° (C=1, MeOH) |
| storage temp. | under inert gas (nitrogen or Argon) at 2–8 °C |
| form | powder to crystal |
| pka | 3.77±0.10(Predicted) |
| color | White to Almost white |
| Optical Rotation | [α]20/D -9.0°, c = 1 in methanol |
| InChI | 1S/C5H9N5/c1-2-4(6-3-1)5-7-9-10-8-5/h4,6H,1-3H2,(H,7,8,9,10)/t4-/m0/s1 |
| InChIKey | XUHYQIQIENDJER-BYPYZUCNSA-N |
| SMILES | C1CN[C@@H](C1)c2nnn[nH]2 |
| CAS DataBase Reference | 33878-70-5 |
Safety Data
| Hazard Codes | T |
| Risk Statements | |
| Safety Statements | |
| RIDADR | UN 2811 6.1/PG 3 |
| WGK Germany | 3 |
| HS Code | 29339900 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Acute Tox. 3 Oral Eye Irrit. 2 Skin Irrit. 2 STOT SE 3 |