methyl (2R)-3-(bromozincio)-2-methylpropanoate

• ChemBase ID: 145919
• Molecular Formular: C5H9BrO2Zn
• Molecular Mass: 246.40776
• Monoisotopic Mass: 243.90773353
• SMILES: C[C@@H](C[Zn]Br)C(=O)OC
• Canonical SMILES: C[C@H](C(=O)OC)C[Zn]Br
• InChI: InChI=1S/C5H9O2.BrH.Zn/c1-4(2)5(6)7-3;;/h4H,1H2,2-3H3;1H;/q;;+1/p-1/t4-;;/m1../s1
• InChIKey: ZYPPBSJLXDMOPY-RZFWHQLPSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl (2R)-3-(bromozincio)-2-methylpropanoate
• IUPAC Traditional name: methyl (2R)-3-(bromozincio)-2-methylpropanoate
• Synonyms: (R)-(+)-3-Methoxy-2-methyl-3-oxopropylzinc bromide solution; (R)-(+)-3-甲氧基-2-甲基-3-氧代丙基溴化锌 溶液

Database IDs

• CAS Number: 343338-26-1
• EC Number: 203-726-8
• PubChem SID: 24873285; 162240119
• PubChem CID: 11160952

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.8982
• LogD (pH = 7.4): 0.8982
• Log P: 0.8982
• Molar Refractivity: 34.6151 cm^3
• Polarizability: 17.147366 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 1.4 °F; -17 °C
• Density: 0.968 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: 11-19-36/37
• Safety Statements: 16-29-33
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• 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: CH3O2CCH(CH3)CH2ZnBr

DETAILS

Sigma Aldrich - 499498

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