| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | Yes |
Popular Name: Cyclohexylbenzene Cyclohexylbenzene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 827-52-1 , 92-51-3 , 92-52-4 , [827-52-1]
| 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) | 4.30 | 8.3 | -1.37 | 0 | 0 | 0 | 0 | 160.26 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 236 | TCI |
| BP [°C] | 238 - 240 | Acros Organics |
| Boiling_Point | 239-240? | Alfa-Aesar |
| Boiling_Point | 239-240° | Alfa-Aesar |
| MP | 4-7° | Oakwood Chemical |
| Mp [°C] | 5 | Acros Organics |
| Melting_Point | 5-6? | Alfa-Aesar |
| Melting_Point | 5-6° | Alfa-Aesar |
| Purity | 97% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0395302B1 | IBM Patent Data |
| PUBCHEM_PATENT_ID | EP1005465A2 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H410: Very toxic to aquatic life with long lasting effects; H315: Causes skin irritation | Acros Organics |
| P phrase | P273: Avoid release to the environment | Acros Organics |
| P phrase | P273: Avoid release to the environment; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several mi | Acros Organics |
| R phrase | R36/38: Irritating to eyes and skin. | Acros Organics |
| R phrase | R36/38: Irritating to eyes and skin.; 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.; S29: Do not empty into drains.; S37/39: Wear suitable gloves and eye/face protection.; S61: Avoid release to the environment. Refer to special instructions | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XI: Irritant; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.