| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2004 | 9 | Yes |
Popular Name: 4-Chlororesorcinol 4-Chlororesorcinol
[4-[bis[4-(dimethylamino)phenyl]methylene]cyclohexa-2,5-dien-1-ylidene]-dimethyl-ammonium
[4-[bis[4-(dimethylamino)phenyl]methylidene]-1-cyclohexa-2,5-dienylidene]-dimethylammonium
| 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) | 1.85 | -0.66 | -4.96 | 2 | 2 | 0 | 40 | 144.557 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 106 - 108 | Enamine Building Blocks |
| Mp [°C] | 106 - 110 | Acros Organics |
| MP | 106-108° | Oakwood Chemical |
| MP | 106...108 | Enamine Building Blocks |
| MP | 107 | TCI |
| Melting_Point | 108-111? | Alfa-Aesar |
| Melting_Point | 108-111° | Alfa-Aesar |
| Boiling_Point | 146-148?/18mm | Alfa-Aesar |
| Boiling_Point | 146-148°/18mm | Alfa-Aesar |
| BP [°C] | 147 (p=18 torr) | Acros Organics |
| BP | 147°/18mm | Oakwood Chemical |
| BP | 256 | TCI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| H phrase | H302: Harmful if swallowed | Acros Organics |
| H phrase | H302: Harmful if swallowed; H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory irritation | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell | Acros Organics |
| P phrase | P301+ P312: IF SWALLOWED: Call a POISON CENTER or doctor/physician if you feel unwell; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.