| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 18th, 2005 | 14 | Yes |
Popular Name: 2-(trifluoromethoxy)benzoic acid 2-(trifluoromethoxy)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 150436-84-3 , 1979-29-9 , [1979-29-9]
2-(Trifluoromethoxy)benzoic acid 97%
2-(Trifluoromethoxy)benzoic acid, 98%
2-(Trifluoromethoxy)benzoicacid
| 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) | 2.85 | 2.78 | -51.54 | 0 | 3 | -1 | 49 | 205.111 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 78 - 79 | MolMall (formerly Molecular Diversity Preservation International) |
| MP | 78 - 80 | Enamine Building Blocks |
| Melting_Point | 78-80? | Alfa-Aesar |
| Melting_Point | 78-80° | Alfa-Aesar |
| MP | 78...80 | Enamine Building Blocks |
| MP | 79 - 80 | Enamine Building Blocks |
| MP | 80 | TCI |
| MP | 80 - 80 | Enamine Building Blocks |
| MP | 80 - 82 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory irritation; H319: Causes serious eye 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 |
