2,5-Dihydroxyterephthalsure

2,5-Dihydroxyterephthalic acid

HCID 69131CAS 610-92-4

Teilstruktursuche Ähnliche Strukturen suchen

Grundinformationen

Standard-SMILES: O=C(O)c1cc(O)c(C(=O)O)cc1O
InChIKey: OYFRNYNHAZOYNF-UHFFFAOYSA-N
Summenformel: C8H6O6
Durchschnittliche Molmasse: 198,13 g/mol
Monoisotopische Masse: 198,01643791

Überblick

2,5-Dihydroxyterephthalic acid has been reported in Inonotus obliquus with data available.

Namen und Bezeichner

Bevorzugter Name: 2,5-Dihydroxyterephthalic acid
IUPAC: 2,5-dihydroxyterephthalic acid
Lokaler Name: 2,5-Dihydroxyterephthalsure
Englischer Name: 2,5-Dihydroxyterephthalic acid
Summenformel: C8H6O6
Molmasse: 198.13

Namen und Synonyme

2,5-Dihydroxyterephthalic acid610-92-4DTXSID30209867RefChem:82875DTXCID80132358210-239-42,5-dihydroxyterephthalicacid1,4-Benzenedicarboxylic acid, 2,5-dihydroxy-2,5-dihydroxybenzene-1,4-dicarboxylic acidMFCD001329331, 2,5-dihydroxy-CHEMBL4464247

Weitere Namen anzeigen

DHTA2,5-dihydroxyterephthalic2,5-Dihydroxytelephthalic acidDHTPADK7265DK7437JACS-610-92-42,5-Dihydroxyterepht

BDBM50521008AKOS015917236SY0370762,5-Dihydroxyterephthalic Acid, 98+ PercentEN300-1544402,5-Dihydroxy-1,4-benzenedicarboxylic acidBCP15405EINECS 210-239-4

Datenbank-Bezeichner

CAS: 610-92-4
PubChem CID: 69131
DTXSID: DTXSID30209867
ChEMBL: CHEMBL4464247
EC Number: 210-239-4
Nikkaji: J79.728F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,4
Polarare Oberfläche (TPSA): 115 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 6
Frei drehbare Bindungen: 2
Schwere Atome: 14
Formalladung: 0
Komplexität: 224

Physikochemische Eigenschaften

Schmelzpunkt: 300 °C · >300 °C (lit.)
Siedepunkt: 498.9 · 498.9±45.0 °C(Predicted)
Dichte: 1.779 · 1.779±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
Löslichkeit: Soluble in hot dimethylformamide.
pka: 2.17 · 2.17±0.10(Predicted)
Aggregatzustand: Solid
Farbe: Dark gray to green
InChI: InChI=1S/C8H6O6/c9-5-1-3(7(11)12)6(10)2-4(5)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)
InChIKey: OYFRNYNHAZOYNF-UHFFFAOYSA-N
SMILES: C1(C(O)=O)=CC(O)=C(C(O)=O)C=C1O

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
hs_code: 29181990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenEmployed as an important intermediate for raw material and intermediate used in organic synthesis agrochemical, pharmaceutical and dyestuff field.