| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 10th, 2004 | 10 | Yes |
Popular Name: 1,4-DIETHYLBENZENE 1,4-DIETHYLBENZENE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 105-05-5 , 25340-17-4 , [105-05-5]
"Diethylbenzene, 95% [mixture of o-, m- and p-isomers]"
1,4-Diethylbenzene; 105-05-5; C14583; p-Diethylbenzene
| 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) | 3.77 | 2.16 | -1.67 | 0 | 0 | 0 | 0 | 134.222 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 43 | Acros Organics |
| MP | 43 - -41 | Enamine Building Blocks |
| MP | 43 - -43 | Enamine Building Blocks |
| M.P | 43 °C | Indofine |
| Melting_Point | 43? | Alfa-Aesar |
| Melting_Point | 43° | Alfa-Aesar |
| MP | 44 - -43 | Enamine Building Blocks |
| MP | 45 - -43 | Enamine Building Blocks |
| MP | 45...-43 | Enamine Building Blocks |
| Boiling_Point | 182-184? | Alfa-Aesar |
| Boiling_Point | 182-184° | Alfa-Aesar |
| BP [°C] | 184 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| APPEARANCE | clear colorless liquid | Indofine |
| H phrase | H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P210: Keep away from heat/sparks/open flames/hot surfaces. - No smoking | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.