| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 14 | No |
Popular Name: 5-(chloromethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole 5-(chloromethyl)-3-(4-chlorophen…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 57238-75-2 , [57238-75-2]
1,2,4-oxadiazole, 5-(chloromethyl)-3-(4-chlorophenyl)-
1,2,4-Oxadiazole,5-(chloromethyl)-3-(4-chlorophenyl)-
5-Chloromethyl-3-(4-chloro-phenyl)-
5-Chloromethyl-3-(4-chloro-phenyl)-[1,2,4]oxadiazole
5-Chloromethyl-3-(4-chlorophenyl)-[1,2,4]oxadiazole
| 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) | 3.30 | -0.37 | -6.03 | 0 | 3 | 0 | 38 | 229.066 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 51 - 53 | Enamine Building Blocks |
| MP | 51...53 | Enamine Building Blocks |
| Mp [°C] | 60 - 61 | Acros Organics |
| melting_point | 61 - 63 | KeyOrganics |
| MP | 61-63° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | >95% | 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 |
| Warnings | IRRITANT | Matrix Scientific |
| 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 | 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.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.