| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 10 | Yes |
Popular Name: 3-Fluorobenzoic acid 3-Fluorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 499-57-0 , 455-38-9 , 499-57-0 , [455-38-9] , [499-57-0]
3-Fluorobenzoate; 3-Fluorobenzoic acid; 455-38-9; C02364
3-Fluorobenzoate; m-fluorobenzoate
3-Fluorobenzoic Acid [455-38-9]
3-Fluorobenzoic acid; 3-fluorobenzoic acid; m-Fluorobenzoic acid; meta-Fluorobenzoic 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) | 1.99 | 4.18 | -48.22 | 0 | 2 | -1 | 40 | 139.105 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 121 - 125 | Acros Organics |
| MP | 122 - 124 | Enamine Building Blocks |
| Melting_Point | 122-124? | Alfa-Aesar |
| Melting_Point | 122-124° | Alfa-Aesar |
| MP | 122...124 | Enamine Building Blocks |
| MP | 123 | TCI |
| MP | 123-125° | Oakwood Chemical |
| UniProt Database Links | 3HBCL_THAAR | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| 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 water | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
