| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: Methyl 4-bromobenzoate Methyl 4-bromobenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 619-42-1 , [619-42-1]
4-Bromobenzoic acid methyl ester
Benzoic acid, 4-bromo-, methyl ester
methyl 4-bromobenzoate (4-bromobenzoic acid methyl ester)
METHYL p-BROMOBENZOATE6; [19-42-1]
| 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) | 2.92 | 1.57 | -4.54 | 0 | 2 | 0 | 26 | 215.046 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 76-78° | Matrix Scientific |
| M.P | 77-81 °C | Indofine |
| Melting_Point | 77-81? | Alfa-Aesar |
| Melting_Point | 77-81° | Alfa-Aesar |
| Mp [°C] | 78 - 81 | Acros Organics |
| MP | 79 | TCI |
| MP | 79-81° | Oakwood Chemical |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 98%min (HPLC) | APIChem |
| Purity | 99% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | 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 protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.