Cesium pivalate

HCID 583616CAS 20442-70-0

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Grundinformationen

Standard-SMILES: CC(C)(C)C(=O)[O-].[Cs+]
InChIKey: LGVUAXNPXVXCCW-UHFFFAOYSA-M
Summenformel: C5H9CsO2
Durchschnittliche Molmasse: 234,03 g/mol
Monoisotopische Masse: 233,96570643

Namen und Bezeichner

Bevorzugter Name: Cesium pivalate
IUPAC: cesium 2,2-dimethylpropanoate
Englischer Name: Cesium 2,2-dimethylpropanoate, Cesium trimethylacetate
Summenformel: C5H11CsO2
Molmasse: 236.05

Namen und Synonyme

Cesium pivalate20442-70-0DTXSID00342654RefChem:333632DTXCID60293734628-015-3Cesium trimethylacetatecesium 2,2-dimethylpropanoatecesium;2,2-dimethylpropanoateC5H9CsO2MFCD10567040SCHEMBL101921

Weitere Namen anzeigen

Pivalic acid cesium saltCesiuM pivalate 98%Trimethylacetic Acid Cesium Salt2,2-Dimethylpropionic Acid Cesium Salt2,2-Dimethylpropanoic acid cesium saltCesium 2,2-dimethylpropanoate, Cesium trimethylacetate

Cesium 2,2-Dimethylpropionatecesium 2,2-dimethyl-propionatecaesium(1+) 2,2-dimethylpropanoateAKOS025294859C3230T70538EN300-7596559Cesiumpivalate

Datenbank-Bezeichner

CAS: 20442-70-0
PubChem CID: 583616
DTXSID: DTXSID00342654
EC Number: 628-015-3
Nikkaji: J144.585E

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA): 40,1 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 82,9

Physikochemische Eigenschaften

Schmelzpunkt: 344 · 344-348 °C
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: powder to crystal
Farbe: White to Almost white
InChI: 1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1
InChIKey: LGVUAXNPXVXCCW-UHFFFAOYSA-M
SMILES: [Cs+].CC(C)(C)C([O-])=O
CAS Datenbank: 20442 · 20442-70-0

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.4% (1 of 41) of reports.

Warning

H315 (97.6%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.6%)

Sicherheitsdaten

wgk: 3
hs_code: 2915.60.5000
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Anwendungen

VerwendenCesium 2,2-Dimethylpropanoate is used in preparation of Tetrahydrocyclopropa[b]naphthalenones.Pivalic Acid is a metabolite of oral cephem (β-lactam) antibiotics such as S-1108, containing pivaloyl moieties.