| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2005 | 13 | Yes |
Popular Name: 2,3,5,6-Tetrafluorobenzoic acid 2,3,5,6-Tetrafluorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 652-18-6 , [652-18-6]
2,3,5,6-Tetrafluorobenzoic acid, 98%
2,3,5,6-TetrafluorobenzoicAcid
| 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) | 1.95 | 4.36 | -47.62 | 0 | 2 | -1 | 40 | 193.075 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 148 - 152 | Acros Organics |
| MP | 148-152° | Oakwood Chemical |
| MP | 150 | TCI |
| MP | 150 - 152 | Enamine Building Blocks |
| MP | 150...152 | Enamine Building Blocks |
| mp | 151 - 152 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 153-154° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H318: Causes serious eye damage | Acros Organics |
| Warnings | Irritant | Matrix Scientific |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P310: Immediately call a POISON CENTER or doctor/physician; P30 | Acros Organics |
| R phrase | R38: Irritating to skin. | Acros Organics |
| R phrase | R38: Irritating to skin.; R41: Risk of serious damage to eyes. | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2-13-E | Carbonic Anhydrase II (cluster #13 Of 15), Eukaryotic | Eukaryotes | 6000 | 0.56 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 6000 | 0.56 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Reversible hydration of carbon dioxide |
