2,3-Dihydroxyterephthalsure

2,3-Dihydroxyterephthalic acid

HCID 88273CAS 19829-72-2
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Grundinformationen

Standard-SMILES
O=C(O)c1ccc(C(=O)O)c(O)c1O
InChIKey
OHLSHRJUBRUKAN-UHFFFAOYSA-N
Summenformel
C8H6O6
Durchschnittliche Molmasse
198,13 g/mol
Monoisotopische Masse
198,01643791

Namen und Bezeichner

Bevorzugter Name
2,3-Dihydroxyterephthalic acid
IUPAC
2,3-dihydroxyterephthalic acid
Lokaler Name
2,3-Dihydroxyterephthalsure
Englischer Name
2,3-dihydroxyterephthalic acid
Summenformel
C8H6O6
Molmasse
198.13

Namen und Synonyme

2,3-Dihydroxyterephthalic acidEINECS 243-354-3DTXSID50173556NSC 38869RefChem:442425DTXCID2096047243-354-319829-72-21,4-Benzenedicarboxylic acid, 2,3-dihydroxy-2,3-DIHYDROXY-TEREPHTHALIC ACIDMFCD021811052,3-DIHYDROXYBENZENE-1,4-DICARBOXYLIC ACID
Weitere Namen anzeigen
DK74382,3-Dihydroxyterephthalsure2,3-Dihydroxy-p-benzenediacetic acid2,3-dihydroxyparabenzenedimacetic acid2,3-Dihydroxy-1,4-benzenedicarboxylic acid
F9S7RAD6FMSCHEMBL1762552,3-Dihydroxyterephthalic acid #NSC-38869DS-7405SY248314CS-0110703EN300-2842026

Datenbank-Bezeichner

CAS
19829-72-2
PubChem CID
88273
DTXSID
DTXSID50173556
ChEMBL
CHEMBL4160929
UNII
F9S7RAD6FM
EC Number
243-354-3
Nikkaji
J82.901C

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,5
Polarare Oberfläche (TPSA)
115 Ų
H-Brücken-Donoren
4
H-Brücken-Akzeptoren
6
Frei drehbare Bindungen
2
Schwere Atome
14

Physikochemische Eigenschaften

Schmelzpunkt
309 · 309-310℃ (ethanol ethyl ether )
Siedepunkt
456.5 · 456.5±45.0 °C(Predicted)
Dichte
1.779 · 1.779±0.06 g/cm3(Predicted)
storage temp.
2 · under inert gas (nitrogen or Argon) at 2-8°C
pka
2.23 · 2.23±0.13(Predicted)
InChI
InChI=1S/C8H6O6/c9-5-3(7(11)12)1-2-4(6(5)10)8(13)14/h1-2,9-10H,(H,11,12)(H,13,14)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

Alarmwort
Warnung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315

Chemie und Industrie

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

郑州阿尔法化工有限公司+86-18530059196 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州德元凯化工有限公司17837139533 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

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