| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 6th, 2005 | 12 | No |
Popular Name: 2-Nitrobenzoic acid 2-Nitrobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 17264-82-3 , 3740-52-1 , 552-16-9 , [552-16-9]
2-nitrobenzoate; 2-nitrobenzoic acid; CPD-9168; o-nitrobenzoate; o-nitrobenzoic acid
2-NITROBENZOIC ACID SODIUM SALT
| 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) | 1.94 | 6.18 | -60.91 | 0 | 5 | -1 | 86 | 166.112 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 141 - 148 | Acros Organics |
| MP | 141-148° | Oakwood Chemical |
| MP | 144 | TCI |
| MP | 146 - 148 | Enamine Building Blocks |
| MP | 146-148° | Matrix Scientific |
| Melting_Point | 146-149? | Alfa-Aesar |
| Melting_Point | 146-149° | Alfa-Aesar |
| MP | 146...148 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 95+% | Matrix Scientific |
| Patent Database Links | EP1897888 | ChEBI |
| H phrase | H341: Suspected of causing genetic defects | Acros Organics |
| H phrase | H341: Suspected of causing genetic defects; H302: Harmful if swallowed; 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; P260: Do not breathe dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin.; R68: Possible risks of irreversible effects. | 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. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
