| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 6 | Yes |
Popular Name: 1,3,5-Trioxane 1,3,5-Trioxane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 110-88-3 , [110-88-3]
| 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) | 0.09 | -0.55 | -4.68 | 0 | 3 | 0 | 28 | 90.078 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 114 - 116 | Acros Organics |
| Boiling_Point | 114-116? | Alfa-Aesar |
| Boiling_Point | 114-116° | Alfa-Aesar |
| BP | 115 | TCI |
| Melting_Point | 59-62? | Alfa-Aesar |
| Melting_Point | 59-62° | Alfa-Aesar |
| Mp [°C] | 61 - 62 | Acros Organics |
| MP | 63 | TCI |
| Purity | 99% | Fluorochem |
| Patent Database Links | EP0984009; EP1118614; EP1852415; US2006041004; WO2006018846; WO2006087166 | ChEBI |
| Hazard | F: Highly flammable | Acros Organics |
| Hazard | F: Highly flammable; XN: Harmful | Acros Organics |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H361d: Suspected of damaging the unborn child; H228: Flammable solid | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R11: Highly flammable. | Acros Organics |
| R phrase | R11: Highly flammable.; R37: Irritating to respiratory system.; R63: Possible risk of harm to the unborn child. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves.; S46: If swallowed, seek medical advice immediately and show this container or label. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.