(carbamoylimino)urea

• ChemBase ID: 109926
• Molecular Formular: C2H4N4O2
• Molecular Mass: 116.07876
• Monoisotopic Mass: 116.03342539
• SMILES: NC(=O)/N=N/C(=O)N
• Canonical SMILES: NC(=O)/N=N/C(=O)N
• InChI: InChI=1S/C2H4N4O2/c3-1(7)5-6-2(4)8/h(H2,3,7)(H2,4,8)
• InChIKey: XOZUGNYVDXMRKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (carbamoylimino)urea; (E)-(carbamoylimino)urea
• IUPAC Traditional name: diazenedicarboxamide; azodicarbonamide
• Synonyms: AZODICARBONAMIDE; Azodicarboxamide; Azobisformamide; C,C'-Azodi(formamide); Diazenedicarboxamide; Azodicarboxamide; Diazene-1,2-dicarboxamide; 偶氮二甲酰胺

Database IDs

• CAS Number: 123-77-3
• EC Number: 204-650-8
• MDL Number: MFCD00007958
• Beilstein Number: 1704003
• PubChem SID: 162095435; 24847272; 24891486
• PubChem CID: 31269; 5462814
• CHEMBL: 28517
• Chemspider ID: 4575589
• Unique Ingredient Identifier: 56Z28B9C8O
• Wikipedia Title: Azodicarbonamide

CALCULATED PROPERTIES

• Acid pKa: 11.511484
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8459895
• LogD (pH = 7.4): -1.8459598
• Log P: -1.8459898
• Molar Refractivity: 23.0852 cm^3
• Polarizability: 8.828938 Å^3
• Polar Surface Area: 110.9 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Yellow to orange/red crystalline powder
• Melting Point: 195°C; 220-225 °C (dec.)(lit.)
• Flash Point: 225 °C; 437 °F

Safety Information

• RTECS: LQ1040000
• European Hazard Symbols: Explosive (E); Harmful (Xn)
• UN Number: 3242
• German water hazard class: 1
• Hazard Class: 4.1
• Packing Group: 2
• Risk Statements: 2-42; R42 R44
• Safety Statements: 22-24-37; S22 S24 S37
• GHS Pictograms: GHS02; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  1

  2

  2
• GHS Hazard statements: H242-H334; H334
• GHS Precautionary statements: P261-P342 + P311
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 3242 4.1/PG 2

Product Information

• Purity: ≥98.0% (T); 95+%; 97%
• Grade: purum
• Linear Formula: NH2CON=NCONH2

DETAILS

Sigma Aldrich - A96606

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 11621

Other Notes
Generation of diimide, a reducing agent, via sodium (potassium) azodicarboxylate1