| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | No |
Popular Name: Methyl 4-formylbenzoate Methyl 4-formylbenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 1571-08-0 , 1679-64-7 , [1571-08-0]
"Methyl 4-formylbenzoate, 99%"
1,4-Benzenedicarboxylic acid, monomethyl ester
4-Formylbenzoic acid methyl ester
| 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) | 1.90 | 4.88 | -10.31 | 0 | 3 | 0 | 43 | 164.16 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 135 / 12 | TCI |
| Boiling_Point | 264-266? | Alfa-Aesar |
| Boiling_Point | 264-266° | Alfa-Aesar |
| BP [°C] | 265 | Acros Organics |
| BP | 265° | Oakwood Chemical |
| Mp [°C] | 57 - 64 | Acros Organics |
| Melting_Point | 59-63? | Alfa-Aesar |
| Melting_Point | 59-63° | Alfa-Aesar |
| MP | 60 | TCI |
| MP | 60 - 62 | Enamine Building Blocks |
| MP | 60...62 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | 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 | 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; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if presen | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | 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 |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
