| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: Methyl 3-(trifluoromethyl)benzoate Methyl 3-(trifluoromethyl)benzoate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 2557-13-3 , [2557-13-3]
3-(Methoxycarbonyl)benzotrifluoride
3-(Methoxycarbonyl)benzotrifluoride, 3-(Methoxycarbonyl)-alpha,alpha,alpha-trifluorotoluene
3-(Trifluoromethyl)benzoic acid methyl ester
3-(Trifluoromethyl)benzoicacidmethyl ester
Methyl 3-(trifluoromethyl)benzoate 98%
Methyl 3-(trifluoromethyl)benzoate 99+%
Methyl 3-(trifluoromethyl)benzoate, 97%
Methyl 3-(trifluoromethyl)benzoate, 99%
methyl-3-(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) | 2.98 | 4.5 | -6.97 | 0 | 2 | 0 | 26 | 204.147 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 198 | TCI |
| Boiling_Point | 80-82?/15mm | Alfa-Aesar |
| Boiling_Point | 80-82°/15mm | Alfa-Aesar |
| BP [°C] | 88 (p=15 torr) | Acros Organics |
| BP | 93-94° | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H319: Causes serious eye irritation; H315: Causes skin irritation; H226: Flammable liquid and vapor | 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 | R10: Flammable. | Acros Organics |
| R phrase | R10: Flammable.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking. | Acros Organics |
| S phrase | S16: Keep away from sources of ignition - No smoking.; 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 |
| Purity | ¡Ý98% | APIChem |
