dibutylzinc

• ChemBase ID: 153085
• Molecular Formular: C8H18Zn
• Molecular Mass: 179.60852
• Monoisotopic Mass: 178.06999258
• SMILES: CCCC[Zn]CCCC
• Canonical SMILES: CCCC[Zn]CCCC
• InChI: InChI=1S/2C4H9.Zn/c2*1-3-4-2;/h2*1,3-4H2,2H3
• InChIKey: UQTVWGHDJHVLEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dibutylzinc
• IUPAC Traditional name: dibutylzinc
• Synonyms: Zincdibutyl; Dibutylzinc solution; 二丁基锌 溶液

Database IDs

• CAS Number: 1119-90-0
• MDL Number: MFCD00048753
• Beilstein Number: 3535191
• PubChem SID: 162247225; 24861492
• PubChem CID: 545193

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8414
• LogD (pH = 7.4): 2.8414
• Log P: 2.8414
• Molar Refractivity: 38.9438 cm^3
• Polarizability: 18.7196 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 24.8 °F

Safety Information

• European Hazard Symbols: Nature polluting (N)
• German water hazard class: 3
• Risk Statements: 11-14-17-38-50/53-65-67
• Safety Statements: 16-61-62
• GHS Pictograms: GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H250-H304-H315-H336-H410
• GHS Precautionary statements: P210-P222-P231-P261-P273-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.

Product Information

• Concentration: ~1 M in heptane
• Grade: technical
• Linear Formula: (CH3CH2CH2CH2)2Zn