| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 11 | No |
Popular Name: Benzoylformic acid Benzoylformic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 43165-51-1 , 611-73-4 , [611-73-4]
2-oxo-2-phenylacetic acid; 2-phenylethanoic acid; alpha-ketophenylacetic acid; benzeneglyoxylic acid
Benzoylformic acid;Phenylglyoxylic 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) | 0.71 | 4.49 | -48.07 | 0 | 3 | -1 | 57 | 149.125 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP | 138 / 12 | TCI |
| Boiling_Point | 147-151?/12mm | Alfa-Aesar |
| Boiling_Point | 147-151°/12mm | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 2.42e+00 g/l | DrugBank-experimental |
| Mp [°C] | 60 - 69 | Acros Organics |
| Melting_Point | 62-67? | Alfa-Aesar |
| Melting_Point | 62-67° | Alfa-Aesar |
| MP | 66 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| UniProt Database Links | CYBL_RHOGR; MDLB_PSEPU; MDLC_PSEAE; MDLC_PSEPU; PADE_AZOEV; PADF_AZOEV; PADG_AZOEV; PADH_AZOEV; PADI_AZOEV | ChEBI |
| Patent Database Links | EP1990639; US2005208588; US2007212759; US2007258894; US2008182972 | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | 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.; S24: Avoid contact with skin.; S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
| Purity | ¡Ý98% | APIChem |
