| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: methyl 3-(bromomethyl)benzoate methyl 3-(bromomethyl)benzoate
Find On: PubMed — Wikipedia — Google
CAS Number: 1129-28-8
"Methyl 3-(bromomethyl)benzoate, 97%"
3-(Bromomethyl)benzoic acid methyl ester
3-Bromomethyl-benzoic acid methyl ester
benzoic acid, 3-(bromomethyl)-, methyl ester
methyl 3-(bromo-methyl)benzoate
Methyl 3-(bromomethyl)benzoate, 95%
Methyl 3-(bromomethyl)benzoate, 97%
Methyl-3-(bromomethyl)benzoate
| 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) | 2.79 | 1.77 | -6.8 | 0 | 2 | 0 | 26 | 229.073 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 115?/0.8mm | Alfa-Aesar |
| Boiling_Point | 115°/0.8mm | Alfa-Aesar |
| BP | 128-133° | Oakwood Chemical |
| BP | 169 / 22 | TCI |
| MP | 41-45° | Oakwood Chemical |
| Melting_Point | 42-46? | Alfa-Aesar |
| Melting_Point | 42-46° | Alfa-Aesar |
| Mp [°C] | 43 - 46 | Acros Organics |
| MP | 44 | TCI |
| MP | 47 - 49 | Enamine Building Blocks |
| MP | 47...49 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
