| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 9th, 2008 | 14 | Yes |
Popular Name: 1,4-Phenylenediacetic acid 1,4-Phenylenediacetic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 7325-46-4 , [7325-46-4]
"1,4-Phenylenediacetic acid, 97%"
1,4-Phenylenediacetic acid, 97%
1.4-Phenylenediacetic acid, 97%
2,2'-(1,4-Phenylene)diacetic acid
| 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) | 0.79 | 5.35 | -99.53 | 0 | 4 | -2 | 80 | 192.17 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| MP | 248 - 252 | Enamine Building Blocks |
| MP | 248...252 | Enamine Building Blocks |
| MP | 249-251° | Matrix Scientific |
| Mp [°C] | 250 - 256 | Acros Organics |
| Melting_Point | 252-256? | Alfa-Aesar |
| Melting_Point | 252-256° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Matrix Scientific |
| H phrase | H319: Causes serious eye irritation | Acros Organics |
| H phrase | H319: Causes serious eye irritation; H335: May cause respiratory irritation; H315: Causes skin irritation | Acros Organics |
| Warnings | IRRITANT | Matrix Scientific |
| 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 |
| PUBCHEM_PATENT_ID | US5561148; US5723480 | IBM Patent Data |
| Hazard | XI: Irritant | Acros Organics |
