| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 23rd, 2004 | 12 | Yes |
Popular Name: 4-Amino-3,5-dichlorobenzoic acid 4-Amino-3,5-dichlorobenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 56961-25-2 , [56961-25-2]
4-Amino-3,5-dichlorobenzoic acid, 98%
4-Amino-3,5-dichlorobenzoic acid, 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) | 2.54 | -1.29 | -45.15 | 2 | 3 | -1 | 66 | 205.02 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.30 | 5.92 | -99.4 | 7 | 8 | 2 | 122 | 488.514 | 6 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 288 - 290 | Acros Organics |
| MP | 290 - 293 | Enamine Building Blocks |
| MP | 290...293 | Enamine Building Blocks |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| Melting_Point | ca 290? dec. | Alfa-Aesar |
| Melting_Point | ca 290° dec. | Alfa-Aesar |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H319: Causes serious eye irritation | 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; P302+ P352: IF ON SKIN: Wash with plenty of soap and water; P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water | Acros Organics |
| R phrase | 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.; S37/39: Wear suitable gloves and eye/face protection. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
