| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | No |
Popular Name: 2-Methyl-3-nitroaniline 2-Methyl-3-nitroaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: , 603-83-8
"2-Methyl-3-nitroaniline, 97%"
1-AMINO-2-METHYL-3-NITROBENZENE
| 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) | 1.73 | 3.82 | -7.39 | 2 | 4 | 0 | 72 | 152.153 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 305 | Acros Organics |
| Boiling_Point | 305? | Alfa-Aesar |
| Boiling_Point | 305° | Alfa-Aesar |
| Mp [°C] | 87 - 91 | Acros Organics |
| MP | 87-91° | Fluorochem |
| MP | 88 - 90 | Enamine Building Blocks |
| Melting_Point | 88-91? | Alfa-Aesar |
| Melting_Point | 88-91° | Alfa-Aesar |
| MP | 88...90 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| MP | 90 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H311: Toxic in contact with skin | Acros Organics |
| H phrase | H311: Toxic in contact with skin; H411: Toxic to aquatic life with long lasting effects; H331: Toxic if inhaled; H373: May cause damage to organs through prolonged or repeated exposure; H301: Toxic if swallowed | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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; P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: G | 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 |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water. | Acros Organics |
| S phrase | S28A: After contact with skin, wash immediately with plenty of water.; S36/37: Wear suitable protective clothing and gloves.; S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label where possible).; S61: Avoid rele | Acros Organics |
| Hazard | T: Toxic | Acros Organics |
| Hazard | T: Toxic; N: Dangerous for the environment | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.