tris(oxolane); trichlorochromium

• ChemBase ID: 146104
• Molecular Formular: C12H24Cl3CrO3
• Molecular Mass: 374.67226
• Monoisotopic Mass: 373.01961017
• SMILES: C1CCOC1.C1CCOC1.C1CCOC1.Cl[Cr](Cl)Cl
• Canonical SMILES: C1CCCO1.C1CCCO1.C1CCCO1.Cl[Cr](Cl)Cl
• InChI: InChI=1S/3C4H8O.3ClH.Cr/c3*1-2-4-5-3-1;;;;/h3*1-4H2;3*1H;/q;;;;;;+3/p-3
• InChIKey: CYOMBOLDXZUMBU-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(oxolane); trichlorochromium
• IUPAC Traditional name: chromium chloride; tris(tetrahydrofuran)
• Synonyms: Chromium(III) chloride tetrahydrofuran complex (1:3); 氯化铬四氢呋喃复合物 (1:3）

Database IDs

• CAS Number: 10170-68-0
• MDL Number: MFCD00013222
• PubChem SID: 24857323; 162240303
• PubChem CID: 11100829

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.53034693
• LogD (pH = 7.4): 0.53034693
• Log P: 0.53034693
• Molar Refractivity: 20.5535 cm^3
• Polarizability: 8.060449 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder
• Melting Point: 143 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1325
• German water hazard class: 3
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-33-36/37/39
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H228-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1325 4.1/PG 2

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C12H24Cl3CrO3

DETAILS

Sigma Aldrich - 288179

Packaging
10 g in ampule