1,2,3,4-Cyclobutanetetracarboxylic Acid

HCID 266034CAS 53159-92-5

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Grundinformationen

Standard-SMILES: O=C(O)C1C(C(=O)O)C(C(=O)O)C1C(=O)O
InChIKey: CURBACXRQKTCKZ-UHFFFAOYSA-N
Summenformel: C8H8O8
Durchschnittliche Molmasse: 232,14 g/mol
Monoisotopische Masse: 232,02191721

Namen und Bezeichner

Bevorzugter Name: 1,2,3,4-Cyclobutanetetracarboxylic Acid
IUPAC: cyclobutane-1,2,3,4-tetracarboxylic acid
Englischer Name: trans,trans,trans-Cyclobutanetetracalboxylic acid
Summenformel: C8H8O8
Molmasse: 232.14432

Namen und Synonyme

1,2,3,4-cyclobutanetetracarboxylic acidRefChem:410484625-969-253159-92-5cyclobutane-1,2,3,4-tetracarboxylic acidMFCD00013270Cyclobutane tetracarboxylic acidNSC131453NSC-131453Oprea1_440559SCHEMBL911207SCHEMBL9782989

Weitere Namen anzeigen

Nsc102999trans,trans,trans-Cyclobutanetetracalboxylic acid

38841-00-8720-21-8DTXSID20967681CCG-37542NCI131453AKOS015894299NCI60_000692rel-(1R,2R,3S,4S)-Cyclobutane-1,2,3,4-tetracarboxylic acid

Datenbank-Bezeichner

CAS: 53159-92-5、720-21-8
PubChem CID: 266034
DTXSID: DTXSID20967681
ChEMBL: CHEMBL1741844、CHEMBL1980764
UNII: GG5S3TLY4C
EC Number: 625-969-2
Nikkaji: J2.748.628B、J2.748.629K、J267.344D、J3.432.007A、J79.924F、J89.255F

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,9
Polarare Oberfläche (TPSA): 149 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 4
Schwere Atome: 16
Formalladung: 0
Komplexität: 292

Physikochemische Eigenschaften

CAS Datenbank: 720 · 720-21-8

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 (97.5%): 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 40 reports by companies from 3 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.