| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 5 | No |
Popular Name: Iodoacetic acid Iodoacetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 102-08-9 , 28747-25-3 , 305-53-3 , 64-69-7 , 65749-30-6 , [305-53-3] , [64-69-7]
2-iodoacetate; iodoacetate; monoiodoacetate
2-iodoacetic acid; CH2ICO2H; CH2ICOOH; ICH2CO2H; ICH2COOH; iodoethanoic acid; monoiodoacetic acid
| 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) | 0.57 | 2.32 | -38.92 | 0 | 2 | -1 | 40 | 184.94 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| SOLUBILITY | .; Stable. Incompatible with strong oxidizing agents, bases, strong reducing agents. Store at -20 C. | Indofine |
| Boiling_Point | 208? dec. | Alfa-Aesar |
| Boiling_Point | 208° dec. | Alfa-Aesar |
| UniProt Database Links | 3XYN2_VIBSX; 3XYN_ALCSP; 6HN3M_PSEFL; CATC_HUMAN; CATLL_FASHE; CPP2_ENTHI; CYSP1_HOMAM; CYSP2_HOMAM; CYSP3_HOMAM; DAPDH_CORGL; DCAM_HUMAN; FCJ1_AJECG; FCJ1_AJECH; FCJ1_AJECN; FCJ1_AJEDR; FCJ1_AJEDS; FCJ1_ARTBC; FCJ1_ARTOC; FCJ1_ASHGO; FCJ1_ASPCL; FCJ1_ASP | ChEBI |
| Mp [°C] | 79 - 83 | Acros Organics |
| M.P | 79 °C | Indofine |
| Melting_Point | 79-82? | Alfa-Aesar |
| Melting_Point | 79-82° | Alfa-Aesar |
| H phrase | H314: Causes severe skin burns and eye damage | Acros Organics |
| H phrase | H314: Causes severe skin burns and eye damage; H301: Toxic if swallowed | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician | Acros Organics |
| P phrase | P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; 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 | Acros Organics |
| R phrase | R25: Toxic if swallowed. | Acros Organics |
| R phrase | R25: Toxic if swallowed.; R35: Causes severe burns. | Acros Organics |
| S phrase | S22: Do not breathe dust. | Acros Organics |
| S phrase | S22: Do not breathe dust.; 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 immediately (show the label where possible). | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.