N-(3-{[(dichlororhodio)oxy]imino}butan-2-ylidene)hydroxylamine; N-[3-(hydroxyimino)butan-2-ylidene]hydroxylamine

• ChemBase ID: 138320
• Molecular Formular: C8H15Cl2N4O4Rh
• Molecular Mass: 405.0406
• Monoisotopic Mass: 403.95253934
• SMILES: C/C(=N\O)/C(=N/O)/C.C/C(=N\O)/C(=N/O[Rh](Cl)Cl)/C
• Canonical SMILES: O/N=C(/C(=N/O)/C)\C.O/N=C(/C(=N/O[Rh](Cl)Cl)/C)\C
• InChI: InChI=1S/2C4H8N2O2.2ClH.Rh/c2*1-3(5-7)4(2)6-8;;;/h2*7-8H,1-2H3;2*1H;/q;;;;+3/p-3
• InChIKey: IXIZJXPUAJCWJO-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-{[(dichlororhodio)oxy]imino}butan-2-ylidene)hydroxylamine; N-[3-(hydroxyimino)butan-2-ylidene]hydroxylamine
• IUPAC Traditional name: 2,3-butanedione oxime; N-(3-{[(dichlororhodio)oxy]imino}butan-2-ylidene)hydroxylamine
• Synonyms: Dichloro(dimethylglyoximato)(dimethylglyoxime)rhodium(III)

Database IDs

• CAS Number: 39174-43-1
• MDL Number: MFCD01321356
• PubChem SID: 162232576; 24871651
• PubChem CID: 71310131

CALCULATED PROPERTIES

• Acid pKa: 6.9837093
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.8383687
• LogD (pH = 7.4): 2.3011997
• Log P: 2.8524
• Molar Refractivity: 40.2424 cm^3
• Polarizability: 19.995178 Å^3
• Polar Surface Area: 54.18 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 290 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 97%
• Empirical Formula (Hill Notation): C8H15Cl2N4O4Rh