| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2005 | 9 | Yes |
Popular Name: 5-methylisoxazole-3-carboxylic acid 5-methylisoxazole-3-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3405-77-4 , 42831-50-5 , [3405-77-4]
"5-Methylisoxazole-3-carboxylic acid, 99%"
3-isoxazolecarboxylic acid, 5-methyl-
5-methyl-1,2-oxazole-3-carboxylic acid
5-methyl-3-isoxazole carboxylic acid
5-methyl-3-isoxazolecarboxylic acid
5-Methylisoxazole-3-carboxylic acid, 98+%
| 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) | 0.46 | 2.26 | -51.95 | 0 | 4 | -1 | 66 | 126.091 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| mp | 127 | MolMall (formerly Molecular Diversity Preservation International) |
| Mp [°C] | 168 - 170 | Acros Organics |
| MP | 169 - 171 | Enamine Building Blocks |
| MP | 169...171 | Enamine Building Blocks |
| Melting_Point | 171-173? | Alfa-Aesar |
| Melting_Point | 171-173° | Alfa-Aesar |
| MP | 173-174°(dec.) | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
