| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 11 | Yes |
Popular Name: 4-(Difluoromethoxy)aniline 4-(Difluoromethoxy)aniline
Find On: PubMed — Wikipedia — Google
CAS Number: 22236-10-8
4-(Difluoromethoxy)aniline 98%
4-(Difluoromethoxy)aniline, 97%
4-(Difluoromethoxy)aniline, 98%
| 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) | 1.63 | 1.93 | -5.76 | 2 | 2 | 0 | 35 | 159.135 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| BP [°C] | 231 | Acros Organics |
| Boiling_Point | 231? | Alfa-Aesar |
| Boiling_Point | 231° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks |
| BP | 90 / 2.9 | TCI |
| purity | 95 | Enamine Building Blocks |
| Purity | 97% | Matrix Scientific |
| Purity | 98% | Fluorochem |
| BP | 98-100°/5mm | Matrix Scientific |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H312: Harmful in contact with skin; H319: Causes serious eye irritation; H302: Harmful if swallowed; H332: Harmful if inhaled; H335: May cause respiratory irritation | Acros Organics |
| Warnings | IRRITANT-HARMFUL, TOXIC | Matrix Scientific |
| 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 | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | 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 |
| Warnings | Toxic/Irritant-Harmful | Matrix Scientific |
| Hazard | XN: Harmful | Acros Organics |
No pre-computed analogs available. Try a structural similarity search.