| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 27th, 2004 | 10 | Yes |
Popular Name: 4-Chloro-3-methoxyaniline 4-Chloro-3-methoxyaniline
Find On: PubMed — Wikipedia — Google
CAS Numbers: 13726-14-2 , [13726-14-2]
| 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) | 1.68 | 2.22 | -5.14 | 2 | 2 | 0 | 35 | 157.6 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 77-79° | Oakwood Chemical |
| Melting_Point | 78-81? | Alfa-Aesar |
| Melting_Point | 78-81° | Alfa-Aesar |
| MP | 79 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95+% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| H phrase | H301: Toxic if swallowed; H311: Toxic in contact with skin; H331: Toxic if inhaled; H315: Causes skin irritation; H319: Causes serious eye irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray; P280: Wear protective gloves/protective clothing/eye protection/face protection; P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P302+ P352: IF ON SKIN: Wash wit | Acros Organics |
| R phrase | R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.; R36/37: Irritating to eyes and respiratory system. | Acros Organics |
| Warnings | Toxic | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.