| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 12 | No |
Popular Name: Benzoylnitromethane Benzoylnitromethane
Find On: PubMed — Wikipedia — Google
CAS Numbers: 577-59-3 , 614-21-1 , [614-21-1]
| 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) | 2.36 | 5.74 | -45.49 | 0 | 4 | -1 | 69 | 164.14 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.24 | 6.31 | -12.63 | 0 | 4 | 0 | 63 | 165.148 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 101 - 106 | Acros Organics |
| PUBCHEM_PATENT_ID | EP0048166A1; US3936447; US4092474; US4138486; US4159984; US4180571; US4183855; US4183928; US4201782; US4203982; US4220766; US4233216; US4269773; US4271295; US4271296; US4299954; US4301282; US4304717; US4310459; US4318986; US4322347; US4323567; US4334063 | IBM Patent Data |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H335: May cause respiratory irritation; H312: Harmful in contact with skin; H315: Causes skin irritation | Acros Organics |
| 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; P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/p | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; 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.; 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. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
