| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: methyl 3-methyl-4-nitrobenzoate methyl 3-methyl-4-nitrobenzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 24078-21-5 , 24078-71-5 , N/A , [24078-21-5]
3-Methyl-4-nitro-benzoic acid methyl ester
3-Methyl-4-nitrobenzoic acid methyl ester
Benzoic acid, 3-methyl-4-nitro, methyl ester
Benzoic acid, 3-methyl-4-nitro-, methyl ester
methyl 3-methyl-4-nitrobenzenecarboxylate
Methyl 3-methyl-4-nitrobenzoate, 97%
methyl-3-methyl-4-nitrobenzoate
Methyl3-methyl-4-nitrobenzoate
| 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) | 2.44 | 3.08 | -6.64 | 0 | 5 | 0 | 72 | 195.174 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 78-79° | Matrix Scientific |
| Mp [°C] | 80 - 82 | Acros Organics |
| Melting_Point | 80-82? | Alfa-Aesar |
| Melting_Point | 80-82° | Alfa-Aesar |
| MP | 81 | TCI |
| melting_point | 82 - 83 | KeyOrganics |
| MP | 82-83° | Matrix Scientific |
| Purity | 97% | Fluorochem |
| Purity | 98% | APIChem |
| Purity | >95% | Matrix Scientific |
| Warnings | IRRITANT | Matrix Scientific |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
