| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 9th, 2011 | 13 | No |
Popular Name: TFAA TFAA
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1493-13-6 , 407-25-0 , [1493-13-6] , [407-25-0]
| 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) | 1.90 | 4.9 | -3.25 | 0 | 3 | 0 | 43 | 210.029 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 63.5 | Acros Organics |
| Melting_Point | 65? | Alfa-Aesar |
| Melting_Point | 65° | Alfa-Aesar |
| Boiling_Point | 39-40? | Alfa-Aesar |
| Boiling_Point | 39-40° | Alfa-Aesar |
| BP [°C] | 39.1 | Acros Organics |
| Hazard | C: Corrosive | Acros Organics |
| H phrase | H332: Harmful if inhaled | Acros Organics |
| H phrase | H332: Harmful if inhaled; H412: Harmful to aquatic life with long lasting effects; H314: Causes severe skin burns and eye damage; EUH014: Reacts violently with water | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; 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, | Acros Organics |
| R phrase | R14: Reacts violently with water. | Acros Organics |
| R phrase | R14: Reacts violently with water.; R20: Harmful by inhalation.; R35: Causes severe burns.; R52/53: Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| S phrase | S8: Keep container dry. | Acros Organics |
| S phrase | S8: Keep container dry.; S9: Keep container in a well-ventilated place.; S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S27: Take off immediately all contaminated clothing.; S28A: After contact with ski | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.