bis(dioxo-1,3-dioxa-2-thulacyclopentan-2-yl) oxalate

• ChemBase ID: 139471
• Molecular Formular: C6O12Tm2
• Molecular Mass: 601.92542
• Monoisotopic Mass: 601.80740144
• SMILES: C1(=O)C(=O)O[Tm](O1)OC(=O)C(=O)O[Tm]1OC(=O)C(=O)O1
• Canonical SMILES: O=C(C(=O)O[Tm]1OC(=O)C(=O)O1)O[Tm]1OC(=O)C(=O)O1
• InChI: InChI=1S/3C2H2O4.2Tm/c3*3-1(4)2(5)6;;/h3*(H,3,4)(H,5,6);;/q;;;2*+3/p-6
• InChIKey: BSCZSHAJTJRUPP-UHFFFAOYSA-H

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(dioxo-1,3-dioxa-2-thulacyclopentan-2-yl) oxalate
• IUPAC Traditional name: bis(dioxo-1,3-dioxa-2-thulacyclopentan-2-yl) oxalate
• Synonyms: Thulium(III) oxalate; 草酸铥(III)

Database IDs

• CAS Number: 3269-17-8
• EC Number: 221-887-2
• MDL Number: MFCD00050804
• PubChem SID: 24881180; 162233719
• PubChem CID: 71310252

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 4.1442
• LogD (pH = 7.4): 4.1442
• Log P: 4.1442
• Molar Refractivity: 37.7502 cm^3
• Polarizability: 30.850477 Å^3
• Polar Surface Area: 157.8 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: powder; solid

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 21/22
• Safety Statements: 24/25
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99.9% trace metals basis
• Empirical Formula (Hill Notation): C6O12Tm2

DETAILS

Sigma Aldrich - 587532

Packaging
2, 10 g in glass bottle