| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 16th, 2005 | 10 | No |
Popular Name: Hexafluoroacetone trihydrate Hexafluoroacetone trihydrate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 109640-39-3 , 13098-39-0 , 34202-69-2 , 684-16-2 , [34202-69-2]
1,1,1,3,3,3-Hexafluoroacetone sesquihydrate, 98%
1,1,1,3,3,3-Hexafluoroacetone trideuterate
1,1,1,3,3,3-Hexafluoroacetone trideuterate, 99.5% (Isotopic)
1,1,1,3,3,3-Hexafluoropropan-2-one trihydrate
Hexafluoroacetone sesquihydrate
Hexafluoroacetone trihydrate 98%
Hexafluoroacetone trihydrate, 98%
Hexafluoroacetone Trihydrate[34202-69-2]
Hexafluoroacetone, 1,1,1,3,3,3-Hexafluoropropan-2-one
| 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) | 1.33 | 2.71 | -1.13 | 0 | 1 | 0 | 17 | 166.02 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 129° | Matrix Scientific |
| BP | 28° | Matrix Scientific |
| Mp [°C] | 10 - 15 | Acros Organics |
| Boiling_Point | 105-106? | Alfa-Aesar |
| Boiling_Point | 105-106° | Alfa-Aesar |
| Melting_Point | 18-21? | Alfa-Aesar |
| Melting_Point | 18-21° | Alfa-Aesar |
| Melting_Point | 21? | Alfa-Aesar |
| Melting_Point | 21° | Alfa-Aesar |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Matrix Scientific |
| Patent Database Links | EP1762255; US2002013490; US2005014967; US2005020683; US2007196462; US2007249573; WO2006119104; WO2007087418; WO2007118711 | ChEBI |
| Warnings | GAS, TOXIC BY INHALATION, CORROSIVE | Matrix Scientific |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H302: Harmful if swallowed; H314: Causes severe skin burns and eye damage | Acros Organics |
| Warnings | IRRITANT, TOXIC | Matrix Scientific |
| Warnings | IRRITANT-HARMFUL, TOXIC | Matrix Scientific |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water | Acros Organics |
| P phrase | P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed. | Acros Organics |
| R phrase | R21/22: Harmful in contact with skin and if swallowed.; 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection. | Acros Organics |
| Warnings | Toxic by inhalation/Corrosive/Nonflammable Gas | Matrix Scientific |
| Warnings | Toxic/Irritant | Matrix Scientific |
| Warnings | Toxic/Irritant-Harmful | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.