| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 8 | Yes |
Popular Name: 3-acetylthiophene 3-acetylthiophene
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1468-83-3 , [1468-83-3]
| 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) | 1.42 | 3.83 | -7.32 | 0 | 1 | 0 | 17 | 126.18 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 208 - 210 (p=748 torr) | Acros Organics |
| Boiling_Point | 208-210? | Alfa-Aesar |
| Boiling_Point | 208-210° | Alfa-Aesar |
| Mp [°C] | 57 - 61 | Acros Organics |
| Melting_Point | 58-61? | Alfa-Aesar |
| Melting_Point | 58-61° | Alfa-Aesar |
| MP | 60 | TCI |
| MP | 60 - 62 | Enamine Building Blocks |
| MP | 60...62 | Enamine Building Blocks |
| MP | 61 - 63 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP | 90 / 7 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 98% | Fluorochem |
| PUBCHEM_PATENT_ID | EP0799823A1; EP0927555A1; US5908858 | IBM Patent Data |
| H phrase | H312: Harmful in contact with skin | Acros Organics |
| H phrase | H312: Harmful in contact with skin; H332: Harmful if inhaled; H302: Harmful if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P302 + P352: IF ON SKIN: Wash with plenty of soap and water; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: R | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| S phrase | S36/37: Wear suitable protective clothing and gloves. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
