1,2,3,4-Benzenetetrol

1,2,3,4-benzenetetrol · benzene-1,2,3,4-tetrol · Rabeprazole Impurity 56 · Phloroglucinol Impurity 65

https://huagongshe.com/de/chemical/588355

Molekülstruktur von 1,2,3,4-Benzenetetrol

Identifikatoren & physikalische Daten

CAS No.	642-96-6
Summenformel	C6H6O4
Durchschnittliche Molmasse	142,11 g/mol
Monoisotopische Masse	142,02660867 g/mol
SMILES	Oc1ccc(O)c(O)c1O
InChIKey	VERMEZLHWFHDLK-UHFFFAOYSA-N
PubChem CID	588355
ChEBI	CHEBI:193965
EC No.	980-791-5
DTXSID	DTXSID40343226

Chemische & physikalische Eigenschaften

XLogP	0,5
Polarare Oberfläche (TPSA)	80,9
H-Brücken-Donoren	4
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	0
Schwere Atome	10
Formalladung	0
Komplexität	102
Schmelzpunkt	159-161 °C
Siedepunkt	421.5±40.0 °C(Predicted)
Dichte	1.709±0.06 g/cm3(Predicted)
pKa (Säurekonstante)	9.12±0.15(Predicted)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and Categories	Acute Tox. 4 (100%)

GHS-Einstufung

WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard Classes and Categories

Acute Tox. 4 (100%)