| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 10 | Yes |
Popular Name: sec-Butylbenzene sec-Butylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 135-98-8 , 1772-10-7 , 36383-15-0 , 9003-53-6
"Poly(styrene) [average M.W. 250,000]"
(1-Methylpropyl)benzene; 135-98-8; 2-Phenylbutane; C14142; sec-Butylbenzene
(1-Methylpropyl)benzene; 2-Phenylbutane; s-butylbenzene; sec-Butylbenzene; secondary butylbenzene
| 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) | 3.79 | 2.16 | -1.49 | 0 | 0 | 0 | 0 | 134.222 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 75 | Acros Organics |
| MP | 75.5° | Oakwood Chemical |
| Melting_Point | 75? | Alfa-Aesar |
| Melting_Point | 75° | Alfa-Aesar |
| BP | 173 | TCI |
| BP [°C] | 173 - 174 | Acros Organics |
| Boiling_Point | 173-174? | Alfa-Aesar |
| Boiling_Point | 173-174° | Alfa-Aesar |
| Purity | 99% | Fluorochem |
| 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 |
| R phrase | R10: Flammable. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.