diammonium [(oxidodioxochromio)oxy]chromiumoylolate

• ChemBase ID: 125818
• Molecular Formular: Cr2H8N2O7
• Molecular Mass: 252.06492
• Monoisotopic Mass: 251.91416561
• SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[NH4+].[NH4+]
• Canonical SMILES: [O-][Cr](=O)(=O)O[Cr](=O)(=O)[O-].[NH4+].[NH4+]
• InChI: InChI=1S/2Cr.2H3N.7O/h;;2*1H3;;;;;;;/q;;;;;;;;;2*-1/p+2
• InChIKey: JOSWYUNQBRPBDN-UHFFFAOYSA-P

NAMES AND DATABASE IDS

Names

• IUPAC name: diammonium [(oxidodioxochromio)oxy]chromiumoylolate
• IUPAC Traditional name: diammonium chromate
• Synonyms: Ammonium dichromate, ACS; Ammonium dichromate; Ammonium bichromate; Ammonium pyrochromate; Ammonium dichromate; 重铬酸铵, ACS; 重铬酸铵

Database IDs

• CAS Number: 7789-09-5
• EC Number: 232-143-1
• MDL Number: MFCD00010879
• Merck Index: 14515
• PubChem SID: 162220164
• PubChem CID: 24600
• Chemspider ID: 23002
• Wikipedia Title: Ammonium_dichromate

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -8.234395
• LogD (pH = 7.4): -8.2344
• Log P: -3.7068
• Molar Refractivity: 10.0076 cm^3
• Polarizability: 11.546313 Å^3
• Polar Surface Area: 123.63 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 18.2 g/100 mL (0 °C) ; 26.67 g/100 mL (20 °C) ; 156 g/100 mL (100 °C) in water; Freely soluble in water; insoluble in acetone; soluble in alcohol
• Apperance: Crystalline; Orange-red crystals
• Melting Point: 170°C dec.; 180 °C (decomp.)
• Auto Ignition Point: 190 °C
• Density: 2.115 g/cm^3

Safety Information

• RTECS: HX7650000
• European Hazard Symbols: Carc. Cat. 2; Corrosive (C); Dangerous for the environment (N); Explosive (E); Harmful (Xn); Muta. Cat. 2; Oxidant (O); Repr. Cat. 2; Very toxic (T+)
• UN Number: 1439; UN1439
• Hazard Class: 5.1
• Packing Group: II
• Risk Statements: 45-46-60-61-2-8-21-25-26-34-42/43-48/23-50/53; R45, R46, R60, R61, R2, R8, R21, R25, R26, R34, R42/43, R48/23, R50/53
• Safety Statements: 53-45-60-61; S53, S45, S60, S61
• TSCA Listed: 是
• EU Index: 024-003-00-1
• GHS Pictograms: GHS01; GHS03; GHS05; GHS06; GHS08; GHS09
• NFPA704:
  

  1

  2

  1

  OX
• GHS Hazard statements: 272, 301, 312, 314, 317, 330, 334, 340, 350, 360, 372, 410; H200-H272-H300-H311-H330-H317-H334-H340-H350-H360-H372-H314-H318-H400-H410
• GHS Precautionary statements: 201, 220, 260, 273, 280, 284; P221-P301+P310-P303+P361+P353-P304+P340-P305+P351+P338-P320-P330-P361-P373-P401A-P405-P501A

Product Information

• Purity: 99.5% min; 99.999% (metals basis)