In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 7th, 2004 | 12 | No |
Popular Name: Diethyl fluoromalonate Diethyl fluoromalonate
Find On: PubMed — Wikipedia — Google
CAS Numbers: 5081-36-7 , 685-88-1 , [685-88-1]
1,3-diethyl 2-fluoropropanedioate
2-Fluoro-malonic acid diethyl ester
Diethyl 2-fluoropropane-1,3-dioate
Fluoromalonic acid diethyl ester
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) | 1.07 | 5.34 | -8.8 | 0 | 4 | 0 | 53 | 178.159 | 6 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
BP [°C] | 121 - 122 (p=30 torr) | Acros Organics |
Boiling_Point | 121-122?/30mm | Alfa-Aesar |
Boiling_Point | 121-122°/30mm | Alfa-Aesar |
BP | 122 / 30 | TCI |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | 97% | Matrix Scientific |
Hazard | C: Corrosive | Acros Organics |
H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | 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 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 r | Acros Organics |
R phrase | R34: Causes burns. | Acros Organics |
S phrase | S25: Avoid contact with eyes. | Acros Organics |
S phrase | S25: Avoid contact with eyes.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible). | Acros Organics |
Warnings | TOXIC, CORROSIVE | Matrix Scientific |
Warnings | Toxic/Corrosive | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.