bis(propan-2-yl)zinc

• ChemBase ID: 127054
• Molecular Formular: C6H14Zn
• Molecular Mass: 151.55536
• Monoisotopic Mass: 150.03869245
• SMILES: CC(C)[Zn]C(C)C
• Canonical SMILES: CC([Zn]C(C)C)C
• InChI: InChI=1S/2C3H7.Zn/c2*1-3-2;/h2*3H,1-2H3
• InChIKey: KDUNMLRPPVCIGP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yl)zinc
• IUPAC Traditional name: diisopropylzinc
• Synonyms: Diisopropylzinc; Diisopropylzinc solution; 二异丙基锌 溶液

Database IDs

• CAS Number: 625-81-0
• MDL Number: MFCD01862461
• PubChem SID: 24880420; 162221377
• PubChem CID: 5207587
• Chemspider ID: 11347073
• Wikipedia Title: Diisopropylzinc

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.7228
• LogD (pH = 7.4): 1.7228
• Log P: 1.7228
• Molar Refractivity: 29.6298 cm^3
• Polarizability: 15.054595 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 23 °F; -5 °C
• Density: 0.895 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 63-11-14-17-34-48/20-65-67
• Safety Statements: 16-26-36/37/39-45-62
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H261-H304-H314-H336-H361d-H373
• GHS Precautionary statements: P210-P222-P231 + P232-P261-P280-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 3399 4.3/PG 2
• Supplemental Hazard Statements: Reacts violently with water.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 1.0 M in toluene
• Linear Formula: Zn(CH(CH3)2)2

DETAILS

Sigma Aldrich - 568112

Packaging
5, 25 mL in glass bottle