| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 10 | Yes |
Popular Name: 2,4,6-Tribromophenol 2,4,6-Tribromophenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 118-79-6 , 689-02-1 , [118-79-6]
| 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) | 4.00 | 3.59 | -2.25 | 1 | 1 | 0 | 20 | 330.801 | 0 | ↓ |
| Mid Mid (pH 6-8) | 4.00 | 4.33 | -30.9 | 0 | 1 | -1 | 23 | 329.793 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 244 | Acros Organics |
| Boiling_Point | 282-290? subl. | Alfa-Aesar |
| Boiling_Point | 282-290° subl. | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 5.45e-02 g/l | DrugBank-experimental |
| Melting_Point | 86-92? | Alfa-Aesar |
| Melting_Point | 86-92° | Alfa-Aesar |
| Mp [°C] | 89 - 93 | Acros Organics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 92 - 94 | Enamine Building Blocks |
| MP | 92...94 | Enamine Building Blocks |
| MP | 94 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H301: Toxic if swallowed; H332: Harmful if inhaled; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H411: Toxic to aquatic life with long lasting effects | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P280: Wear protective gloves/protective clothing/eye protection/face protection; P261: Avoid breathing dust/fume/ | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin. | Acros Organics |
| R phrase | R20/21: Harmful by inhalation and in contact with skin.; R25: Toxic if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R51/53: 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.; S37/39: Wear suitable gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label wher | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
