bromo(1,3-dioxolan-2-ylmethyl)zinc

• ChemBase ID: 143408
• Molecular Formular: C4H7BrO2Zn
• Molecular Mass: 232.38118
• Monoisotopic Mass: 229.89208346
• SMILES: C1COC(O1)C[Zn]Br
• Canonical SMILES: Br[Zn]CC1OCCO1
• InChI: InChI=1S/C4H7O2.BrH.Zn/c1-4-5-2-3-6-4;;/h4H,1-3H2;1H;/q;;+1/p-1
• InChIKey: LOJRLQRGBKTHDB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(1,3-dioxolan-2-ylmethyl)zinc
• IUPAC Traditional name: bromo(1,3-dioxolan-2-ylmethyl)zinc
• Synonyms: (1,3-Dioxolan-2-ylmethyl)zinc bromide; (1,3-Dioxolan-2-ylmethyl)zinc bromide, 0.5M in THF; (1,3-二氧戊环-2-基甲基)溴化锌

Database IDs

• MDL Number: MFCD07698709
• PubChem SID: 162237628
• PubChem CID: 24722674

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.4016
• LogD (pH = 7.4): 0.4016
• Log P: 0.4016
• Molar Refractivity: 29.0399 cm^3
• Polarizability: 15.301582 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: <-22 °F; <-30 °C
• Density: 0.992; 0.992 g/mL at 25 °C

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• UN Number: 2056; UN3399
• German water hazard class: 3
• Hazard Class: 3; 4.3
• Packing Group: 2; II
• Risk Statements: 11-15-19-34-37; 11-19-36/37
• Safety Statements: 16-26; 7/8-9-16-20-23-26-33-36/37/39-43-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H260-H314-H318-H335; H225-H315-H319-H335
• GHS Precautionary statements: P210-P231+P232-P303+P361+P353-P305+P351+P338-P405-P501; P210-P261-P305 + P351 + P338
• RID/ADR: UN 2056 3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5M in THF; 0.6 M in THF
• Packaging: packaged under Argon in resealable ChemSeal? bottles
• Empirical Formula (Hill Notation): C4H7BrO2Zn

DETAILS

Sigma Aldrich - 710326

Packaging
50 mL in Sure/Seal™