| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 5th, 2008 | 14 | No |
Popular Name: 2-THENOYLTRIFLUOROACETONE 2-THENOYLTRIFLUOROACETONE
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1314088-93-1 , 14054-87-6 , 16629-50-8 , 2-Thenoyltrifluoroacetone , 326-90-0 , 326-91-0 , 326910 , [326-91-0]
"2-Thenoyltrifluoroacetone, 99%"
.alpha.-Thenoyltrifluoroacetone
1,1,1-Trifluoro-3-(2-thenoyl)acetone
1,3-butanedione, 4,4,4-trifluoro-1-(2-thienyl)-
1-(2-Thenoyl)-3,3,3-trifluoroacetone
1-(2-Thenoyl)-3,3,3-trifluoroacetone, 99% (dry wt.) may cont. up to ca 2% water
1-(Thien-2-yl)-4,4,4-trifluorobutane-1,3-dione
1-Thenoyl-3,3,3-trifluoroacetone
1-Thienyl-4,4,4-trifluoro-1,3-butanedione
2-(3-Oxo-4,4,4-trifluorobutanoyl)thiophene, 2,4-Dioxo-4-(thien-2-yl)-1,1,1-trifluorobutane
2-Thenoyltrifluoroacetone, 98.5%+
4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione
4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione
CPD-5743; TTFA; thenoyl trifluoro acetone
Europium(III) thenoyltrifluoroacetonate
Europium(III) thenoyltrifluoroacetonate hydrate
Perfluoroacetyl(2-thenoyl)methane
Sodium 1,1,1-trifluoro-4-oxo-4-thiophen-2-yl-but-2-en-2-olate
TRIS(4,4,4-TRIFLUORO-1-(2-THIENYL)-1,3-BUTANEDIONO)EUROPIUM (III)
Tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanediono)europium(III)
Tris(4,4,4-trifluoro-1-(2-thienyl)-1,3-butanediono)europium(III) hydrate
| 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) | 2.92 | 5.58 | -41.66 | 0 | 2 | -1 | 40 | 221.179 | 3 | ↓ |
| Ref Reference (pH 7) | 2.47 | 5.6 | -42.44 | 0 | 2 | -1 | 40 | 221.179 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.92 | 4.19 | -8.73 | 1 | 2 | 0 | 37 | 222.187 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.73 | 6.7 | -11.43 | 0 | 2 | 0 | 34 | 222.187 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 104 / 9 | TCI |
| Melting_Point | 134-140? | Alfa-Aesar |
| Melting_Point | 134-140° | Alfa-Aesar |
| Melting_Point | 143-144? | Alfa-Aesar |
| Melting_Point | 143-144° | Alfa-Aesar |
| Mp [°C] | 40 - 44 | Acros Organics |
| MP | 40-44° | Matrix Scientific |
| Melting_Point | 41-44? | Alfa-Aesar |
| Melting_Point | 41-44° | Alfa-Aesar |
| MP | 45 | TCI |
| ALOGPS_SOLUBILITY | 7.52e-02 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| BP [°C] | 96 - 98 (p=8 torr) | Acros Organics |
| Boiling_Point | 96-98?/8mm | Alfa-Aesar |
| BP | 96-98°/8mm | Matrix Scientific |
| Purity | 98% | Fluorochem |
| Purity | 99% | Matrix Scientific |
| PUBCHEM_PATENT_ID | EP0433024B1 | IBM Patent Data |
| 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 |
| P phrase | P280: Wear eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R22: Harmful if swallowed. | 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 |
| Hazard | XI: Irritant | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
