bromo(propan-2-yl)zinc

• ChemBase ID: 141060
• Molecular Formular: C3H7BrZn
• Molecular Mass: 188.37168
• Monoisotopic Mass: 185.90225422
• SMILES: CC(C)[Zn]Br
• Canonical SMILES: Br[Zn]C(C)C
• InChI: InChI=1S/C3H7.BrH.Zn/c1-3-2;;/h3H,1-2H3;1H;/q;;+1/p-1
• InChIKey: IKQCKJSWVAERRG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(propan-2-yl)zinc
• IUPAC Traditional name: bromo(isopropyl)zinc
• Synonyms: Isopropylzinc bromide; 2-Propylzinc bromide solution; 异丙基溴化锌; 2-丙基溴化锌 溶液

Database IDs

• CAS Number: 77047-87-1
• MDL Number: MFCD06200639
• PubChem SID: 162235295; 24885605
• PubChem CID: 12910424

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.3014
• LogD (pH = 7.4): 1.3014
• Log P: 1.3014
• Molar Refractivity: 23.6271 cm^3
• Polarizability: 12.581242 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: -20 °C; -4 °F
• Density: 0.963 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 3399
• German water hazard class: 3
• Hazard Class: 4.3
• Packing Group: 2
• Risk Statements: 11-14/15-19-36/37/38
• Safety Statements: 16-26-43
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H261-H314-H332-H335
• GHS Precautionary statements: P210-P231 + P232-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 3399 4.3/PG 2
• Supplemental Hazard Statements: May form explosive peroxides.
• Storage Temperature: 2-8°C

Product Information

• Concentration: 0.5 M in THF
• Linear Formula: (CH3)2CHZnBr

DETAILS

Sigma Aldrich - 680966

Packaging
50 mL in Sure/Seal™
Legal Information
Product of Rieke® Metals, Inc.
Rieke is a registered trademark of Rieke Metals, Inc.