| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 14 | Yes |
Popular Name: 3-phenylisoxazole-5-carboxylic acid 3-phenylisoxazole-5-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 14442-12-7 , [14442-12-7]
3-Phenyl-5-isoxazole carboxylic acid
3-phenyl-5-isoxazolecarboxylic acid
3-phenyl-5-isoxazolecarboxylicacid
3-Phenyl-isoxazole-5-carboxylic acid
3-Phenylisoxazole-5-carboxylic acid, 97%
| 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) | 1.91 | 5.22 | -45.1 | 0 | 4 | -1 | 66 | 188.162 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 177-178° | Matrix Scientific |
| Mp [°C] | 178 - 179.5 | Acros Organics |
| Melting_Point | 180-182? | Alfa-Aesar |
| Melting_Point | 180-182° | Alfa-Aesar |
| melting_point | 200 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H302: Harmful if swallowed; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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 |
| Hazard | XN: Harmful | Acros Organics |
