| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 13 | Yes |
Popular Name: 2-(1,2-benzisoxazol-3-yl)acetic acid 2-(1,2-benzisoxazol-3-yl)acetic …
Find On: PubMed — Wikipedia — Google
CAS Numbers: 37924-67-7 , 4865-84-3 , [37924-67-7] , [4865-84-3]
1,2-benzisoxazol-3-ylacetic acid
1,2-Benzisoxazole-3-acetic acid
1,2-Benzisoxazole-3-aceticAcid
| 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) | 1.39 | 4.26 | -50.63 | 0 | 4 | -1 | 66 | 176.151 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 122 - 124 | Enamine Building Blocks |
| MP | 122...124 | Enamine Building Blocks |
| Mp [°C] | 123 - 125 | Acros Organics |
| MP | 129 | TCI |
| melting_point | 130 - 133 | KeyOrganics |
| MP | 130-133° | Matrix Scientific |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | Fluorochem |
| Purity | >95% | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory 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 |
