| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 4,4'-Bipyridine 4,4'-Bipyridine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 123333-55-1 , 15336-72-8 , 27926-72-3 , 35268-49-6 , 553-26-4 , 854623-98-6 , [553-26-4]
&delta',&delta'-Dipyridyl Dihydrate
4,4'-Bipyridine dihydrochloride
4,4'-DIPYRIDYL DIHYDROCHLORIDE
4,4'-Dipyridyl, 98%, anhydrous
| 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) | 1.15 | 4.44 | -6.5 | 0 | 2 | 0 | 26 | 156.188 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Molecular_Solubility | 2.692 | Bitter DB |
| Mp [°C] | 110 - 114 | Acros Organics |
| Melting_Point | 111-114? | Alfa-Aesar |
| Melting_Point | 111-114° | Alfa-Aesar |
| MP | 112 | TCI |
| Boiling_Point | 304-305? | Alfa-Aesar |
| Boiling_Point | 304-305° | Alfa-Aesar |
| BP [°C] | 305 | Acros Organics |
| MP | 70 - 74 | Enamine Building Blocks |
| MP | 70...74 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| MP | 99-110° | Oakwood Chemical |
| Patent Database Links | EP1357103; EP1489068; EP1657240; EP1826267; US2006223076; US2007196428; WO2005000804; WO2005121159; WO2006080821; WO2006135343; WO2008139452; WO2008148560 | ChEBI |
| H phrase | H301: Toxic if swallowed; H312: Harmful in contact with skin | Acros Organics |
| H phrase | H315: Causes skin irritation | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/ | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin. | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.