| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: Benzo[b]thiophene-2-carboxaldehyde Benzo[b]thiophene-2-carboxaldehyde
Find On: PubMed — Wikipedia — Google
CAS Numbers: 3541-37-5 , [3541-37-5]
"Benzo[b]thiophene-2-carboxaldehyde, 97%"
1-benzothiophene-2-carbaldehyde
Benzo[b]thiophene-2-carbaldehyde
Benzo[b]thiophene-2-carboxaldehyde 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) | 2.93 | 0.59 | -6.37 | 0 | 1 | 0 | 17 | 162.213 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 135-136?/8mm | Alfa-Aesar |
| Boiling_Point | 135-136°/8mm | Alfa-Aesar |
| Melting_Point | 30-32? | Alfa-Aesar |
| Melting_Point | 30-32° | Alfa-Aesar |
| MP | 32-36° | Oakwood Chemical |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 97% | Fluorochem |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36: Irritating to eyes. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
