| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 3rd, 2005 | 11 | Yes |
Popular Name: 2,5-Dihydroxybenzoic acid 2,5-Dihydroxybenzoic acid
Find On: PubMed — Wikipedia — Google
CAS Numbers: 294661-02-2 , 490-79-9 , 4955-90-2 , [490-79-9] , [4955-90-2]
"2,5-Dihydroxybenzoic acid, 99%"
2,5-DIHYDROXYBENZOIC ACID SODIUM
2,5-Dihydroxybenzoic acid sodium salt
2,5-Dihydroxybenzoic Acid [Matrix for MALDI-TOF/MS]
2,5-Dihydroxybenzoic acid, 99%
2,5-Dihydroxybenzoic acid, tech
CHEBI:19382; CHEBI:19381; CHEBI:11451; CHEBI:936
Gentisic Acid (INN); Sodium Gentisate (INN); Gentisic Acid Ethanolamide (NF)
Gentisic acid sodium salt hydrate
Gentisic Acid [490-79-9]; (2,5-Dihydroxybenzoic acid)
LS-152422; Thieno(3,2-c)pyridine gentisate; Thieno(3,2-c)pyridine, 2,5-dihydroxybenzoate
| 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) | 1.37 | 0.24 | -50.82 | 2 | 4 | -1 | 81 | 153.113 | 1 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 204 - 207 | Acros Organics |
| MP | 204-206o C | Indofine |
| MP | 204-208 °C(lit.) | Indofine |
| MP | 206 | TCI |
| UniProt Database Links | 3HBH1_PSEAC; 3HBH2_PSEAC; 3HBH_CORGL; 3HBH_KLEOX; 3HBH_POLNA; GNTDO_RALSP; NAGAB_RALSP; NAGG_RALSP; NAGH_RALSP; NAGK_RALSP | ChEBI |
| UniProt Database Links | 3HBH1_PSEAC; 3HBH2_PSEAC; 3HBH_CORGL; 3HBH_KLEOX; 3HBH_POLNA; GNTDO_RALSP; NAGAB_RALSP; NAGG_RALSP; NAGH_RALSP; NAGK_RALSP; NGAL_HUMAN; NGAL_MOUSE; NGAL_RAT | ChEBI |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Purity | 97% | APIChem |
| Purity | 99% | Fluorochem |
| Therapy | analgesic, antiinflammatory | SMDC MicroSource |
| Melting_Point | ca 206? dec. | Alfa-Aesar |
| Melting_Point | ca 206° dec. | Alfa-Aesar |
| Patent Database Links | EP1283201; EP1444990; EP1790334; US2004023890; US2004024057; US2004171682; US2005222096; US2006122237; US2006122238; US2006165590; US2006240562; US2006270608; US2007178123; US2007299033; US2008293728; WO2005012914; WO2005023198; WO2005058825; WO2006089788 | ChEBI |
| H phrase | H315: Causes skin irritation | Acros Organics |
| H phrase | H315: Causes skin irritation; H335: May cause respiratory 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 |
No pre-computed analogs available. Try a structural similarity search.