| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 9 | Yes |
Popular Name: 2-Thiopheneacetic acid 2-Thiopheneacetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 1918-77-0 , [1918-77-0]
"Thiophene-2-acetic acid, 98%"
1918-77-0; 2-Thienylacetic acid; 2-Thiopheneacetic acid; C02595; Thien-2-ylacetate
| 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) | 1.26 | 4.06 | -45.75 | 0 | 2 | -1 | 40 | 141.171 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 160 (p=22 torr) | Acros Organics |
| BP | 160 / 22 | TCI |
| Boiling_Point | 160?/22mm | Alfa-Aesar |
| Boiling_Point | 160°/22mm | Alfa-Aesar |
| Mp [°C] | 61 - 65 | Acros Organics |
| Melting_Point | 61-65? | Alfa-Aesar |
| Melting_Point | 61-65° | Alfa-Aesar |
| MP | 63 | TCI |
| MP | 63 - 67 | Enamine Building Blocks |
| MP | 63-67° | Matrix Scientific |
| MP | 63...67 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Purity | 98% | Matrix Scientific |
| Hazard | C: Corrosive | Acros Organics |
| Warnings | Corrosive/Irritant | Matrix Scientific |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H318: Causes serious eye damage | Acros Organics |
| Warnings | IRRITANT, CORROSIVE | Matrix Scientific |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting | Acros Organics |
| P phrase | P301 + P330 + P331: IF SWALLOWED: rinse mouth. Do NOT induce vomiting; P280: Wear eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue r | Acros Organics |
| R phrase | R34: Causes burns. | 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.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S45: In case of accident or if you feel unwell, seek medical advice immediat | Acros Organics |
| Patent Database Links | US2003082830 | ChEBI |
No pre-computed analogs available. Try a structural similarity search.