| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 5th, 2005 | 9 | Yes |
Popular Name: 6,7-Dihydro-5H-cyclopenta[b]pyridine 6,7-Dihydro-5H-cyclopenta[b]pyri…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 533-37-9 , 583-37-9 , [533-37-9]
"2,3-Cyclopentenopyridine, 97%"
2,3-Cyclopentenopyridine, 99+%
5H,6H,7H-cyclopenta[b]pyridine
| 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) | 1.60 | 4.61 | -4.9 | 0 | 1 | 0 | 13 | 119.167 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 1.60 | 4.84 | -27.4 | 1 | 1 | 1 | 14 | 120.175 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 108 - 110 (p=49.5 torr) | Acros Organics |
| BP | 108-110°/50mm | Oakwood Chemical |
| Boiling_Point | 87-88?/11mm | Alfa-Aesar |
| Boiling_Point | 87-88°/11mm | Alfa-Aesar |
| BP | 88 / 11 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0409164A2; EP0409164B1; EP0544958A1; US5134138 | IBM Patent Data |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with wate | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray. | Acros Organics |
| S phrase | S23: Do not breathe gas/fumes/vapour/spray.; 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. | Acros Organics |
| PUBCHEM_PATENT_ID | US6004988 | IBM Patent Data |
| PUBCHEM_PATENT_ID | WO1999037667A1 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
