| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 9 | Yes |
Popular Name: 3-Bromo-4-methylaniline 3-Bromo-4-methylaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 7745-91-7 , [7745-91-7]
| 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) | 2.20 | -1.27 | -2.91 | 2 | 1 | 0 | 26 | 186.052 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 139 / 17 | TCI |
| BP | 139°/17mm | Oakwood Chemical |
| MP | 24-28° | Oakwood Chemical |
| Melting_Point | 25-28? | Alfa-Aesar |
| Melting_Point | 25-28° | Alfa-Aesar |
| BP [°C] | 254 - 257 | Acros Organics |
| Boiling_Point | 254-257? | Alfa-Aesar |
| Boiling_Point | 254-257° | Alfa-Aesar |
| Mp [°C] | 27 - 30 | Acros Organics |
| MP | 27...30 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H301: Toxic if swallowed | Acros Organics |
| H phrase | H301: Toxic if swallowed; H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protec | Acros Organics |
| R phrase | R25: Toxic if swallowed. | Acros Organics |
| R phrase | R25: Toxic 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.; S28A: After contact with skin, wash immediately with plenty of water.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.