| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 15 | Yes |
Popular Name: 3-[4-(Trifluoromethyl)phenyl]propionic acid 3-[4-(Trifluoromethyl)phenyl]pro…
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CAS Numbers: 53473-36-2 , [53473-36-2]
3-(4-(Trifluoromethyl)phenyl)propanoic acid
3-(4-Trifluoromethyl-phenyl)-propionic acid
3-[4-(Trifluoromethyl)phenyl]propanoic acid
3-[4-(Trifluoromethyl)phenyl]propionic acid, 97%
4-(Trifluoromethyl)hydrocinnamic acid
4-(Trifluoromethyl)hydrocinnamic acid, 95%
4-(Trifluoromethyl)HydrocinnamicAcid
4-(Trifluoromethyl)phenylpropionic 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) | 2.78 | 3.28 | -43.47 | 0 | 2 | -1 | 40 | 217.166 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 106 - 110 | Enamine Building Blocks |
| MP | 110-114° | Matrix Scientific |
| MP | 115 - 117 | Enamine Building Blocks |
| MP | 115...117 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Melting_Point | 99? | Alfa-Aesar |
| Melting_Point | 99° | Alfa-Aesar |
| 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 |
