| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 9th, 2004 | 13 | Yes |
Popular Name: 9H-Carbazole 9H-Carbazole
| 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) | 3.47 | 6.71 | -5.59 | 1 | 1 | 0 | 16 | 167.211 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 240 - 246 | Acros Organics |
| Melting_Point | 240-246? | Alfa-Aesar |
| Melting_Point | 240-246° | Alfa-Aesar |
| MP | 243 - 246 | Enamine Building Blocks |
| MP | 243-246° | Oakwood Chemical |
| MP | 243...246 | Enamine Building Blocks |
| MP | 245 | TCI |
| Boiling_Point | 354-356? | Alfa-Aesar |
| Boiling_Point | 354-356° | Alfa-Aesar |
| BP [°C] | 355 | Acros Organics |
| BP | 355° | Oakwood Chemical |
| ALOGPS_SOLUBILITY | 6.69e-02 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | >95% | Fluorochem |
| UniProt Database Links | CARC_PSERE; FDR_SPHSX | ChEBI |
| PUBCHEM_PATENT_ID | EP0033716A1; EP0073875A2; EP0073876A1; EP0159965A2; EP0224568A1; EP0236973A2; EP0250558A1; EP0264198A2; EP0264198B1; EP0429239A1; EP0516163A1; EP0516163B1; EP0521423B1; EP0703221A1; EP0733365A2; EP0733365A3; EP0742010A2; EP0751944A1; EP0751944B1; EP083705 | IBM Patent Data |
| Patent Database Links | EP0780363; EP0805188; EP0908787; EP0985662; EP1312605; EP1435355; EP1482378; EP1691586; EP1829871; EP1852433; EP1997814; US2002102612; US2002155065; US2003055076; US2004002521; US2004029886; US2004235023; US2005065149; US2005214249; US2006122243; US200711 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H410: Very toxic to aquatic life with long lasting effects; H319: Causes serious eye irritation; H351: Suspected of causing cancer; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P281: Use personal protective equipment as required | Acros Organics |
| P phrase | P281: Use personal protective equipment as required; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothin | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin.; R40: Limited evidence of a carcinogenic effect.; R50/53: Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | 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.; S60: This material and its container must be disposed of as hazardous waste. | Acros Organics |
| Patent Database Links | US2003228573; US2007254874; US2008221215 | ChEBI |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.