| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 11 | Yes |
Popular Name: 3,4-Dihydronaphthalen-1(2H)-one 3,4-Dihydronaphthalen-1(2H)-one
Find On: PubMed — Wikipedia — Google
CAS Number: 529-34-0
| 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) | 2.24 | 6.1 | -6.95 | 0 | 1 | 0 | 17 | 146.189 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.477 | Bitter DB |
| BP | 113-116°/6mm | Oakwood Chemical |
| BP [°C] | 127 (p=13 torr) | Acros Organics |
| BP | 257 | TCI |
| Boiling_Point | 257? | Alfa-Aesar |
| Boiling_Point | 257° | Alfa-Aesar |
| Mp [°C] | 5 - 6 | Acros Organics |
| Melting_Point | 6-8? | Alfa-Aesar |
| Melting_Point | 6-8° | Alfa-Aesar |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0135162A2; EP0145840A1; EP0288563A1; EP0288563B1; EP0296560A2; EP0296560B1; EP0468187A2; EP0468187B1; EP0486897B1; EP0560235A1; EP0560235B1; EP0579263A1; EP0607864A2; EP0607864A3; EP0673927A1; EP0742207A1; EP0757051A1; EP0774465A1; EP0826687A1; EP095282 | IBM Patent Data |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H302: Harmful if swallowed | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing | Acros Organics |
| R phrase | R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
