λ2-chromium(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)

• ChemBase ID: 137645
• Molecular Formular: C14H18Cr
• Molecular Mass: 238.28882
• Monoisotopic Mass: 238.08135808
• SMILES: CCC1=C[CH-]C=C1.CCC1=C[CH-]C=C1.[Cr+2]
• Canonical SMILES: CCC1=C[CH-]C=C1.CCC1=C[CH-]C=C1.[Cr+2]
• InChI: InChI=1S/2C7H9.Cr/c2*1-2-7-5-3-4-6-7;/h2*3-6H,2H2,1H3;/q2*-1;+2
• InChIKey: CVKQQYHLPBJYSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-chromium(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)
• IUPAC Traditional name: λ^2-chromium(2+) ion bis(3-ethylcyclopenta-2,4-dien-1-ide)
• Synonyms: 1,1′-Diethylchromocene; Bis(ethylcyclopentadienyl)chromium(II); 双(乙基环戊二烯)铬(II); 双(乙基环戊二烯基)铬(II)

Database IDs

• CAS Number: 55940-03-9
• MDL Number: MFCD01862449
• PubChem SID: 24873519; 162231907
• PubChem CID: 71310067

CALCULATED PROPERTIES

• Acid pKa: 16.09564
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.18693
• LogD (pH = 7.4): 2.18693
• Log P: 3.1115
• Molar Refractivity: 31.3572 cm^3
• Polarizability: 12.389141 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 1.15 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 2845; UN2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1; I
• Risk Statements: 17-20/21/22-36/37/38
• Safety Statements: 26-36; 9-26-36/37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS06; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H250-H252-H301-H311-H332-H315-H319-H335; H250-H302-H312-H315-H319-H332-H335
• GHS Precautionary statements: P210-P301+P310-P305+P351+P338-P361-P405-P422A-P501A; P222-P231-P261-P280-P305 + P351 + P338-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2845 4.2/PG 1

Product Information

• Purity: 98+%
• Empirical Formula (Hill Notation): C14H18Cr

DETAILS

Sigma Aldrich - 510629

Packaging
5 g in ampule
Application
Catalyst for polymerization of ethylene1