| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 25 | No |
Popular Name: 1,3-Bis(p-toluenesulfonyloxy)propane 1,3-Bis(p-toluenesulfonyloxy)pro…
Find On: PubMed — Wikipedia — Google
CAS Number: 5469-66-9
1,3-Propanediol di-p-toluenesulfonate
1,3-Propanediol di-p-toluenesulfonate, 98%
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 3.27 | 5.77 | -16.9 | 0 | 6 | 0 | 87 | 384.475 | 8 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 90 - 93 | Acros Organics |
| Melting_Point | 90-92? | Alfa-Aesar |
| Melting_Point | 90-92° | Alfa-Aesar |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
