| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 28th, 2004 | 10 | Yes |
Popular Name: Quinoline Quinoline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10500-57-9 , 108703-35-1 , 143440-93-1 , 530-64-3 , 54899-89-7 , 56549-24-7 , 82342-93-6 , 91-22-5 , [530-64-3]
91-22-5; Benzo[b]pyridine; C06413; Quinoline
Chinolin; benzo[b]pyridine; quinoline
| 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) | 1.94 | 4.88 | -6.45 | 0 | 1 | 0 | 13 | 129.162 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.94 | 5.31 | -29.1 | 1 | 1 | 1 | 14 | 130.17 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 15 | Acros Organics |
| Melting_Point | 15? | Alfa-Aesar |
| Melting_Point | 15° | Alfa-Aesar |
| mp | 17 - -13 | MolMall (formerly Molecular Diversity Preservation International) |
| bp | 108 - 110 (p=11 torr) | MolMall (formerly Molecular Diversity Preservation International) |
| BP | 113-114°/11mm | Oakwood Chemical |
| BP [°C] | 237 | Acros Organics |
| Boiling_Point | 237? | Alfa-Aesar |
| Boiling_Point | 237° | Alfa-Aesar |
| BP | 238 | TCI |
| Purity | 95% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0444506A1; EP0444506B1; EP0912574A1; WO1997045429A1 | IBM Patent Data |
| Patent Database Links | EP0770615; EP0771800; EP0795556; EP0805188; EP0818512; EP0841063; EP0847993; EP0858998; EP0860433; EP0861864; EP0878607; EP0881356; EP0889044; EP0920866; EP0933354; EP0945434; EP0947508; EP0985662; EP0990647; EP1014185; EP1055668; EP1072263; EP1072576; EP | ChEBI |
| UniProt Database Links | GYRB_MYCS2; Q2OA_COMTE; Q2OB_COMTE; Q2OG_COMTE; S10A9_BOVIN; S10A9_HUMAN; S10A9_MOUSE; S10A9_RABIT; S10A9_RAT; TRS1_STRTI | ChEBI |
| H phrase | H350: May cause cancer | Acros Organics |
| H phrase | H350: May cause cancer; H411: Toxic to aquatic life with long lasting effects; H315: Causes skin irritation; H319: Causes serious eye irritation; H341: Suspected of causing genetic defects; H312: Harmful in contact with skin; H301: Toxic if swallowed | 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 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P312: Call a POISON CENTE | Acros Organics |
| R phrase | R45: May cause cancer. | Acros Organics |
| R phrase | R45: May cause cancer.; R21/22: Harmful in contact with skin and if swallowed.; R36/38: Irritating to eyes and skin.; R68: Possible risks of irreversible effects.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic envi | Acros Organics |
| Notes | Selectively oxidises aliphatic primary and secondary alcohols and acyclic alcohols to their corresponding carbonyl compounds in good yield, ask for reference. Minimum activity 1mmol QFC per gram of al | Apollo Scientific |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
| Notes | umina | Apollo Scientific |
