| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2005 | 11 | Yes |
Popular Name: 3-Chloro-2-fluorobenzoic acid 3-Chloro-2-fluorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 161957-55-7 , [161957-55-7]
3-Chloro-2-fluoro Benzoic acid
3-Chloro-2-fluorobenzoic acid 98%
3-Chloro-2-fluorobenzoic acid, 97%
| 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) | 2.26 | 1.27 | -50.53 | 0 | 2 | -1 | 40 | 173.55 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 174 - 176 | MolMall (formerly Molecular Diversity Preservation International) |
| Melting_Point | 176-178? | Alfa-Aesar |
| Melting_Point | 176-178° | Alfa-Aesar |
| MP | 176-181° | Matrix Scientific |
| MP | 177 | TCI |
| Mp [°C] | 177 - 180 | Acros Organics |
| MP | 178 - 180 | Enamine Building Blocks |
| MP | 178...180 | Enamine Building Blocks |
| MP | 179 - 180 | Enamine Building Blocks |
| MP | 180 - 182 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| Purity | 99.8% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H315: Causes skin irritation; H302: Harmful if swallowed; 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; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | 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. | 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 | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.