dichloroiodanuide; tetramethylazanium

• ChemBase ID: 152933
• Molecular Formular: C4H12Cl2IN
• Molecular Mass: 271.95525
• Monoisotopic Mass: 270.93915275
• SMILES: C[N+](C)(C)C.Cl[I-]Cl
• Canonical SMILES: C[N+](C)(C)C.Cl[I-]Cl
• InChI: InChI=1S/C4H12N.Cl2I/c1-5(2,3)4;1-3-2/h1-4H3;/q+1;-1
• InChIKey: FUNMSHCNGVSXHD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dichloroiodanuide; tetramethylazanium
• IUPAC Traditional name: dichloroiodanuide; tetramethylammonium
• Synonyms: Tetramethylammonium dichloroiodate(I); 四甲基二氯碘酸铵(I)

Database IDs

• CAS Number: 1838-41-1
• MDL Number: MFCD00800939
• PubChem SID: 24880832; 162247075
• PubChem CID: 11737348

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.9721673
• LogD (pH = 7.4): -3.9721673
• Log P: -3.9721673
• Molar Refractivity: 35.9017 cm^3
• Polarizability: 9.572162 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: powder and chunks
• Melting Point: 225-229 °C(lit.)

Safety Information

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

Product Information

• Purity: 99.999% trace metals basis
• Linear Formula: (CH3)4N(Cl2I)

DETAILS

Sigma Aldrich - 575925

Packaging
5 g in glass bottle