dichloromanganese hydrate

• ChemBase ID: 139907
• Molecular Formular: Cl2H2MnO
• Molecular Mass: 143.859329
• Monoisotopic Mass: 142.88631514
• SMILES: O.Cl[Mn]Cl
• Canonical SMILES: Cl[Mn]Cl.O
• InChI: InChI=1S/2ClH.Mn.H2O/h2*1H;;1H2/q;;+2;/p-2
• InChIKey: BXRRQHBNBXJZBQ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloromanganese hydrate
• IUPAC Traditional name: manganese(II) chloride hydrate
• Synonyms: Manganese(II) chloride hydrate; Manganese dichloride monohydrate; Manganese(II) chloride monohydrate; 氯化亚锰 水合物; 氯化亚锰 一水合物

Database IDs

• CAS Number: 64333-01-3; 73913-06-1
• EC Number: 231-869-6
• MDL Number: MFCD00149793
• PubChem SID: 24847553; 24877701; 162234154
• PubChem CID: 16211237

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.819
• LogD (pH = 7.4): 0.819
• Log P: 0.819
• Molar Refractivity: 12.2726 cm^3
• Polarizability: 7.765818 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 °C(lit.)
• Density: 1.913 g/mL at 25 °C(lit.)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-36/37/38-52; 22-52
• Safety Statements: 22-36-61; 26-36/37-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0%; 99.999% trace metals basis
• Impurities: ≤0.01% heavy metals (as Pb)
• Cation Traces: Fe: ≤200 mg/kg
• Antion Traces: sulfate (SO42-): ≤1000 mg/kg
• Linear Formula: MnCl2 · H2O; MnCl2 · xH2O

DETAILS

Sigma Aldrich - 529680

Application
Starting material for preparation of organomanganese chloride reagents; Catalyst for reductionof vinyl and aryl halides, stereoselective coupling of vinyl iodides, and alkylation of enol triflates; also used for Mn-Cu-catalyzed conjugate addition of RMgX to enones and for Mn-catalyzed acylation of RMgX by acyl chlorides; in combination with NaBH4 is diastereoselective reducing agent; starting material for the preparation of Mn enolates regio- and stereo-selectively.
Packaging
25 g in poly bottle
5 g in glass bottle

Sigma Aldrich - 13220

Application
Starting material for preparation of organomanganese chloride reagents; in combination with RLi or RMgX catalyzes reduction of vinyl and aryl halides, stereoselective coupling of vinyl iodides, and alkylation of enol triflates; also used for Mn-Cu-catalyzed conjugate addition of RMgX to enones and for Mn-catalyzed acylation of RMgX by acyl chlorides; in combination with NaBH4 is diastereoselective reducing agent; starting material for the preparation of Mn enolates regio- andstereo-selectively.