| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 5 | No |
79-24-3; CPD-320; ethylnitronate; nitroethane
aci-Nitroethane ion(1-); Ethanenitronate; Nitroethane aci-anion; Nitroethane anion
CHEBI:116697; CHEBI:7589; CHEBI:14659; CHEBI:25554
Ethanenitronate; Nitroethane aci-anion; Nitroethane anion; aci-Nitroethane ion(1-)
| 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) | 0.47 | 2.61 | -5.24 | 0 | 3 | 0 | 46 | 75.067 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 89? | Alfa-Aesar |
| Melting_Point | 89° | Alfa-Aesar |
| Boiling_Point | 112-115? | Alfa-Aesar |
| Boiling_Point | 112-115° | Alfa-Aesar |
| BP | 114 | TCI |
| UniProt Database Links | 2NDP_YEAST; 2NPD_BACSU; 2NPD_CYBMR; 2NPD_NEUCR; 2NPD_PSEAE; 2NPD_STAA2; 2NPD_STAA3; 2NPD_STAA8; 2NPD_STAA9; 2NPD_STAAC; 2NPD_STAAE; 2NPD_STAAN; 2NPD_STAAR; 2NPD_STAAS; 2NPD_STAAT; 2NPD_STAAW; 2NPD_STAHJ; 2NPD_STAS1 | ChEBI |
| UniProt Database Links | 2NPD_NEUCR; NAO_FUSOX | ChEBI |
| PUBCHEM_PATENT_ID | EP0884333A3; EP0884717A1; US6034183 | IBM Patent Data |
| Patent Database Links | EP1669349; EP1935884; US2006058347; US2006122226; US2007054960; US2007213365; US2007219141; WO2005010028; WO2005063757; WO2005070931; WO2007110225 | ChEBI |
| H phrase | H302: Harmful if swallowed; H332: Harmful if inhaled; H226: Flammable liquid and vapor | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P304 + P340: IF INHALED: Remove victim to fresh air and keep at rest in a position comfortable for breathing; P210: Keep away from heat/sparks/open flames/hot surfaces. | Acros Organics |
| R phrase | R10: Flammable.; R20/22: Harmful by inhalation and if swallowed. | Acros Organics |
| S phrase | S9: Keep container in a well-ventilated place.; S25: Avoid contact with eyes.; S41: In case of fire and/or explosion do not breathe fumes. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
