| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2005 | 11 | No |
Popular Name: 5-Methyl-2-nitroaniline 5-Methyl-2-nitroaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 578-46-1 , [578-46-1]
| 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) | 1.76 | 3.93 | -6.56 | 2 | 4 | 0 | 72 | 152.153 | 1 | ↓ |
| Hi High (pH 8-9.5) | 6.45 | 10.7 | -66.33 | 2 | 9 | -1 | 128 | 488.605 | 5 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 104.5 - 105.5 | Acros Organics |
| Melting_Point | 106-110? | Alfa-Aesar |
| Melting_Point | 106-110° | Alfa-Aesar |
| MP | 110 - 111 | Enamine Building Blocks |
| MP | 110...111 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H331: Toxic if inhaled | Acros Organics |
| H phrase | H331: Toxic if inhaled; H311: Toxic in contact with skin; H301: Toxic if swallowed; H373: May cause damage to organs through prolonged or repeated exposure if inhaled; H411: Toxic to aquatic life with long lasting effects | 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301 + P310: IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician; P302 + P352: IF ON SKIN: Wash with ple | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed. | Acros Organics |
| R phrase | R23/24/25: Toxic by inhalation, in contact with skin and if swallowed.; R33: Danger of cumulative effects.; R51/53: Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
