1,2,4,5-Cyclohexanetetracarboxylic Acid

HCID 2834946CAS 15383-49-0

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Grundinformationen

Standard-SMILES: O=C(O)C1CC(C(=O)O)C(C(=O)O)CC1C(=O)O
InChIKey: ZPAKUZKMGJJMAA-UHFFFAOYSA-N
Summenformel: C10H12O8
Durchschnittliche Molmasse: 260,2 g/mol
Monoisotopische Masse: 260,05321734

Namen und Bezeichner

Bevorzugter Name: 1,2,4,5-Cyclohexanetetracarboxylic Acid
IUPAC: cyclohexane-1,2,4,5-tetracarboxylic acid
Englischer Name: CYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACI&
Summenformel: C10H12O8
Molmasse: 260.2

Namen und Synonyme

15383-49-01,2,4,5-Cyclohexanetetracarboxylic AcidDTXSID60385426RefChem:214801DTXCID70336449625-764-8cyclohexane-1,2,4,5-tetracarboxylic acidMFCD00435556C10H12O8SCHEMBL65025CHEBI:1910871,2,4,5-cyclohexanetetracarboxylic

Weitere Namen anzeigen

1,2,4,5-cyclohexanetracarboxylic acid1,2,4,5-CyclohexanetetracarboxylicAciCyclohexane-2,4,5-tetracarboxylic AcidCYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACI&1,2,4,5-Cyclohexanetetracarboxylic Acid >cyclohexane-1,2,4,5-tetracarboxylic acid, mixture of cis and transCyclohexane-1,2,4,5-tetracarboxylic acid, mixture of cis and trans

DS-7284cyclohexane-1,2,4,5-tetracarboxylicacidCS-0155472EU-0071256CYCLOHEXANE-1 2 4 5-TETRACARBOXYLIC ACICBDivE_010490FT-0753730Cambridge id 5224166

Datenbank-Bezeichner

CAS: 15383-49-0
PubChem CID: 2834946
DTXSID: DTXSID60385426
ChEBI: CHEBI:191087
EC Number: 625-764-8
Nikkaji: J1.834.699K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -1,2
Polarare Oberfläche (TPSA): 149 Å²
H-Brücken-Donoren: 4
H-Brücken-Akzeptoren: 8
Frei drehbare Bindungen: 4
Schwere Atome: 18
Formalladung: 0
Komplexität: 327

Physikochemische Eigenschaften

Schmelzpunkt: 220 °C · >220 °C(lit.)
Siedepunkt: 549.1 · 549.1±50.0 °C(Predicted)
Dichte: 1.673 · 1.673
storage temp.: Sealed in dry,Room Temperature
Wasserlöslichkeit: Soluble in water
Aggregatzustand: powder to crystal
pka: 2.98 · 2.98±0.44(Predicted)
Farbe: White to Almost white
InChI: InChI=1S/C10H12O8/c11-7(12)3-1-4(8(13)14)6(10(17)18)2-5(3)9(15)16/h3-6H,1-2H2,(H,11,12)(H,13,14)(H,15,16)(H,17,18)
InChIKey: ZPAKUZKMGJJMAA-UHFFFAOYSA-N
SMILES: C1(C(O)=O)CC(C(O)=O)C(C(O)=O)CC1C(O)=O
CAS Datenbank: 15383 · 15383-49-0

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (97.5%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P332+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.