| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2005 | 12 | Yes |
Popular Name: 1-Benzofuran-3-carboxylic acid 1-Benzofuran-3-carboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 26537-68-8 , [26537-68-8]
| 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) | 1.76 | 5.44 | -51.24 | 0 | 3 | -1 | 53 | 161.136 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 150 - 152 | Enamine Building Blocks |
| MP | 150...152 | Enamine Building Blocks |
| MP | 159 - 161 | Enamine Building Blocks |
| Mp [°C] | 159.8 - 161 | Acros Organics |
| MP | 162° | Matrix Scientific |
| melting_point | 163 - 164 | KeyOrganics |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H319: Causes serious eye irritation; H315: Causes skin 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 |
