diammonium tetrachlorocopperdiuide dihydrate

• ChemBase ID: 151022
• Molecular Formular: Cl4CuH12N2O2
• Molecular Mass: 277.46548
• Monoisotopic Mass: 274.89488585
• SMILES: [NH4+].[NH4+].O.O.Cl[Cu-2](Cl)(Cl)Cl
• Canonical SMILES: Cl[Cu-2](Cl)(Cl)Cl.[NH4+].[NH4+].O.O
• InChI: InChI=1S/4ClH.Cu.2H3N.2H2O/h4*1H;;2*1H3;2*1H2/q;;;;+2;;;;/p-2
• InChIKey: LLMDTWKBBWCWNN-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium tetrachlorocopperdiuide dihydrate
• IUPAC Traditional name: diammonium tetrachlorocuprate(2-) dihydrate
• Synonyms: Ammonium chlorocuprate(II); Ammonium copper chloride; Ammonium tetrachlorocuprate(II) dihydrate; Diammonium tetrachlorocuprate(II) dihydrate; 氯化铵铜; 氯化高铜铵; 氯化铜(II)铵 二水合物

Database IDs

• CAS Number: 10060-13-6
• EC Number: 239-690-5
• MDL Number: MFCD00150384
• PubChem SID: 162245181; 24847813; 24844882; 24864238
• PubChem CID: 16210985

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.694
• LogD (pH = 7.4): 2.694
• Log P: 2.694
• Molar Refractivity: 24.5452 cm^3
• Polarizability: 12.617304 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-36; 36/37/38
• Safety Statements: 26; 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98%; ≥99.0% (AT); 98%
• Grade: puriss.; purum
• Impurities: ≤0.005% SO4; ≤0.05% free acid (as HCl)
• Cation Traces: Fe: ≤20 mg/kg; Fe: ≤50 mg/kg
• Antion Traces: nitrate (NO3-): ≤50 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Linear Formula: (NH4)2CuCl4 · 2H2O

DETAILS

Sigma Aldrich - 388556

Packaging
50, 250 g in glass bottle

Sigma Aldrich - 12801

Application
Detection of iron in steel