| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 12 | Yes |
Popular Name: Phthalic acid Phthalic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 131-15-7 , 15968-01-1 , 4409-98-7 , 50930-79-5 , 523-24-0 , 5793-85-1 , 79723-02-7 , 827-27-0 , 877-24-7 , 88-99-3 , [15968-01-1] , [4409-98-7] , [877-24-7] , [88-99-3]
"Potassium hydrogen phthalate, 99%"
1,2-Benzenedicarboxylic acid; 88-99-3; C01606; Phthalate; o-Phthalic acid
1,2-Benzenedicarboxylicacid, calcium salt (1:1)
Phthalic acid dipotassium salt
Phthalic acid monopotassium salt
Potassium hydrogen phthalate, 99%
Potassium hydrogen phthalate, 99+%
Tetramethylammonium hydrogen phthalate
| 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) | 1.03 | 6.01 | -136.4 | 0 | 4 | -2 | 80 | 164.116 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 4 | -56.35 | 1 | 4 | -1 | 77 | 165.124 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 148-150? | Alfa-Aesar |
| Melting_Point | 148-150° | Alfa-Aesar |
| MP | 160 | TCI |
| Mp [°C] | 200 - 205 | Acros Organics |
| MP | 202 - 204 | Enamine Building Blocks |
| MP | 202...204 | Enamine Building Blocks |
| Melting_Point | 205? dec. | Alfa-Aesar |
| Melting_Point | 205° dec. | Alfa-Aesar |
| Mp [°C] | 295 - 300 | Acros Organics |
| Melting_Point | 297? dec. | Alfa-Aesar |
| Melting_Point | 297° dec. | Alfa-Aesar |
| ALOGPS_SOLUBILITY | 3.12e+00 g/l | DrugBank-experimental |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 95% | Fluorochem |
| UniProt Database Links | CBAB_COMTE; CES1D_MOUSE; DGOT_ECOL6; DGOT_ECOLI; EXUT_BACSU; EXUT_ECO57; EXUT_ECOLI; GARP_ECO57; GARP_ECOLI; GUDP_BACSU; GUDP_ECOLI; GUDP_PSEPU; HMGA_PSEOC; MPHES_MICSP; PDR_BURCE; PHAM_XANAG; PHDK_NOCSK; PHT1_PSEPU; PHT2_PSEPU; PHT3_PSEPU; PHT4_PSEPU; PH | ChEBI |
| H phrase | H335: May cause respiratory irritation | Acros Organics |
| H phrase | H335: May cause respiratory irritation; H315: Causes skin irritation; H318: Causes serious eye damage | Acros Organics |
| P phrase | P261: Avoid breathing dust/fume/gas/mist/vapors/spray | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P305 + P351 + P338: IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing | Acros Organics |
| R phrase | R36/37/38: Irritating to eyes, respiratory system and skin. | Acros Organics |
| R phrase | R37/38: Irritating to respiratory system and skin.; R41: Risk of serious damage to eyes. | Acros Organics |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| Hazard | XI: Irritant | Acros Organics |
