| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | Yes |
Popular Name: methyl 4-(trifluoromethyl)benzoate methyl 4-(trifluoromethyl)benzoate
Find On: PubMed — Wikipedia — Google
CAS Number: 2967-66-0
"Methyl-4-(trifluoromethyl)benzoate, 99%"
4-(Methoxycarbonyl)benzotrifluoride
4-(Trifluoromethyl)benzoic acid methyl ester
Methyl 4-(trifluoromethyl)benzoate 98%
Methyl 4-(trifluoromethyl)benzoate, 98%
Methyl 4-(trifluoromethyl)benzoate, 99%
Methyl 4-trifluoromethylbenzoate
Methyl-4-(trifluoromethyl)benzoate
Methyl4-(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) | 3.00 | 4.5 | -5 | 0 | 2 | 0 | 26 | 204.147 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 12 - 14 | Enamine Building Blocks |
| MP | 12...14 | Enamine Building Blocks |
| Mp [°C] | 13 - 14 | Acros Organics |
| Melting_Point | 13-14? | Alfa-Aesar |
| Melting_Point | 13-14° | Alfa-Aesar |
| bp | 84 - 85 (p=9 torr) | MolMall (formerly Molecular Diversity Preservation International) |
| BP [°C] | 86 (p=10 torr) | Acros Organics |
| Boiling_Point | 86-87?/10mm | Alfa-Aesar |
| Boiling_Point | 86-87°/10mm | Alfa-Aesar |
| BP | 86°/10mm | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Matrix Scientific |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin 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 |
