| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 13 | Yes |
Popular Name: 3-(Trifluoromethyl)benzoic acid 3-(Trifluoromethyl)benzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 454-92-2 , 69226-41-1 , [454-92-2] , [69226-41-1]
"3-(Trifluoromethyl)benzoic acid, 99%"
3-(Trifluoromethyl)benzoic acid 98%
3-(Trifluoromethyl)benzoic acid, 98+%
3-(Trifluoromethyl)BenzoicAcid
alpha,alpha,alpha-Trifluoro-m-toluic acid
benzoic acid, 3-(trifluoromethyl)-
Sodium 3-(trifluoromethyl)benzoate
Sodium3-(trifluoromethyl)benzoate
| 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) | 2.72 | 2.95 | -46.71 | 0 | 2 | -1 | 40 | 189.112 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 103-107? | Alfa-Aesar |
| Melting_Point | 103-107° | Alfa-Aesar |
| Mp [°C] | 104 - 106 | Acros Organics |
| MP | 105 | TCI |
| MP | 105 - 106 | Enamine Building Blocks |
| MP | 105-106° | Matrix Scientific |
| MP | 105...106 | Enamine Building Blocks |
| BP | 126 / 12 | TCI |
| Boiling_Point | 237-240? | Alfa-Aesar |
| Boiling_Point | 237-240° | Alfa-Aesar |
| BP [°C] | 238.4 (p=775 torr) | Acros Organics |
| BP | 238.5°/775mm | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | APIChem |
| Purity | 99% | 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 |
| Warnings | Irritant/Store in Freezer | 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 | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
