| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 8 | Yes |
Popular Name: 4-Chlorophenol 4-Chlorophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-48-9 , 1193-00-6 , 876-27-7 , [1193-00-6]
1-(4-Chlorophenoxy)-3,3-dimethyl-1-chloro-2-butanone
106-48-9; 4-Chlorophenol; C02124; Parachlorophenol; p-Chlorophenol
106-48-9; D00149; Parachlorophenol (JAN/USP); p-Chlorophenol
| 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) | 2.14 | 2.16 | -3.31 | 1 | 1 | 0 | 20 | 128.558 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 217-220? | Alfa-Aesar |
| Boiling_Point | 217-220° | Alfa-Aesar |
| BP [°C] | 220 | Acros Organics |
| Melting_Point | 39-43? | Alfa-Aesar |
| Melting_Point | 39-43° | Alfa-Aesar |
| Mp [°C] | 41 - 45 | Acros Organics |
| MP | 43 - 45 | Enamine Building Blocks |
| MP | 43...45 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Patent Database Links | EP1498406; EP1508601; EP1980296; US2003144275; US2005014721; US2005107454; US2006199820; US2007202177 | ChEBI |
| H phrase | H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| H phrase | H411: Toxic to aquatic life with long lasting effects; H312: Harmful in contact with skin; H302: Harmful if swallowed; H332: Harmful if inhaled | Acros Organics |
| UniProt Database Links | NPHA1_RHOSO | ChEBI |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P310: Immediately call a POISON CENTER or doctor/physician; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P302 | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water.; S61: Avoid release to the environment. Refer to special instructions / safety data sheets. | Acros Organics |
| Therapy | topical antibacterial (topical) | SMDC Pharmakon |
| 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.