| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 13 | No |
Popular Name: 5-Methyl-2-nitrobenzoic acid 5-Methyl-2-nitrobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3113-72-2 , [3113-72-2]
| 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) | 2.36 | 1.61 | -61.38 | 0 | 5 | -1 | 85 | 180.139 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 133 - 136 | Acros Organics |
| Melting_Point | 133-137? | Alfa-Aesar |
| Melting_Point | 133-137° | Alfa-Aesar |
| MP | 134 - 136 | Enamine Building Blocks |
| MP | 134-136° | Matrix Scientific |
| MP | 134...136 | Enamine Building Blocks |
| MP | 136 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | APIChem |
| PUBCHEM_PATENT_ID | EP0265117A1; EP0265117B1; US5021565 | IBM Patent Data |
| 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 wate | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
