| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 9 | Yes |
Popular Name: Benzofuran Benzofuran
Find On: PubMed — Wikipedia — Google
CAS Numbers: 271-89-6 , 496-16-2 , 885271-89-6 , [271-89-6]
| 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) | 2.26 | 4.85 | -5.32 | 0 | 1 | 0 | 13 | 118.135 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 21? | Alfa-Aesar |
| Melting_Point | 21° | Alfa-Aesar |
| BP [°C] | 173 - 175 | Acros Organics |
| Boiling_Point | 173-175? | Alfa-Aesar |
| Boiling_Point | 173-175° | Alfa-Aesar |
| Boiling_Point | 188-189? | Alfa-Aesar |
| Boiling_Point | 188-189° | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 8.15e-01 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 99% | Fluorochem |
| Patent Database Links | EP0805190; EP0826685; EP0832967; EP0841063; EP0868913; EP0889044; EP0893119; EP0950405; EP0957080; EP0974584; EP0984012; EP0985662; EP1000936; EP1029860; EP1063235; EP1106605; EP1136477; EP1138713; EP1142885; EP1148059; EP1177797; EP1193254; EP1254895; EP | ChEBI |
| Warnings | Flammable | Matrix Scientific |
| H phrase | H351: Suspected of causing cancer | Acros Organics |
| H phrase | H351: Suspected of causing cancer; H226: Flammable liquid and vapor | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| R phrase | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R40: Limited evidence of a carcinogenic effect.; R52: Harmful to aquatic organisms. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
