| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 15th, 2004 | 10 | Yes |
Popular Name: 3-Chloroisonicotinic acid 3-Chloroisonicotinic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 88912-27-0 , [88912-27-0]
3-Chloro-4-pyridinecarboxylic acid
3-Chloroisonicotinic acid, 97%
3-Chloroisonicotinic acid;3-Chloropyridine-4-carboxylic acid
3-Chloropyridine-4-carboxylic acid
| 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) | 1.05 | 2.75 | -43.64 | 0 | 3 | -1 | 53 | 156.548 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 202 - 204 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 220° | Oakwood Chemical |
| Mp [°C] | 227 - 229 | Acros Organics |
| Melting_Point | 227-231? | Alfa-Aesar |
| MP | 227-231°(dec) | Matrix Scientific |
| MP | 235° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| Warnings | Irritant/Refrigerate | 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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 | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.