| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 15 | Yes |
Popular Name: 1,3,5-Benzenetricarboxylic acid 1,3,5-Benzenetricarboxylic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 25357-95-3 , 554-95-0 , [554-95-0]
"1,3,5-Benzenetricarboxylic acid, 99%"
1,3,5-Benzene tricarboxylic acid
1,3,5-Benzenetricarboxylic acid, 98%
1,3,5-Cyclohexanetricarboxylic acid
1,3,5-CYCLOHEXANETRICARBOXYLICACID
1.3.5-Benzenetricarboxylic Acid
benzene-1,3,5-tricarboxylate(3-)
| 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) | 1.60 | 3.34 | -179.08 | 0 | 6 | -3 | 120 | 207.117 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 374-376? | Alfa-Aesar |
| Melting_Point | 374-376° | Alfa-Aesar |
| Mp [°C] | 380 | Acros Organics |
| ALOGPS_SOLUBILITY | 8.37e-01 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 98% | APIChem |
| Patent Database Links | EP0962459; EP1149836; EP1323700; US2003069135; WO2005030695 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H319: Causes serious eye irritation; H335: May cause respiratory 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 |
