| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | Yes |
Popular Name: 4-Bromo-3-methylphenol 4-Bromo-3-methylphenol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14472-14-1 , 320-49-0 , [14472-14-1]
| 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) | 2.64 | -1.18 | -3.38 | 1 | 1 | 0 | 20 | 187.036 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 142 - 145 (p=23 torr) | Acros Organics |
| Boiling_Point | 142-145?/23mm | Alfa-Aesar |
| BP | 142-145°/23mm | Matrix Scientific |
| BP | 145 / 23 | TCI |
| Melting_Point | 44-46? | Alfa-Aesar |
| Mp [°C] | 57 - 61 | Acros Organics |
| Melting_Point | 57-61? | Alfa-Aesar |
| Melting_Point | 57-61° | Alfa-Aesar |
| MP | 59 - 61 | Enamine Building Blocks |
| MP | 59-61° | Matrix Scientific |
| MP | 59...61 | Enamine Building Blocks |
| MP | 61 - 63 | Enamine Building Blocks |
| mp | 63 - 64 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 68 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 99% | Matrix Scientific |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H335: May cause respiratory irritation; H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | 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. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
