guanidine; nitric acid

• ChemBase ID: 127625
• Molecular Formular: CH6N4O3
• Molecular Mass: 122.08334
• Monoisotopic Mass: 122.04399007
• SMILES: [O-][N+](=O)O.N=C(N)N
• Canonical SMILES: NC(=N)N.[O-][N+](=O)O
• InChI: InChI=1S/CH5N3.HNO3/c2*2-1(3)4/h(H5,2,3,4);(H,2,3,4)
• InChIKey: CNUNWZZSUJPAHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: guanidine; nitric acid
• IUPAC Traditional name: acid, nitric; guanidine
• Synonyms: Guanidinium nitrate; Guanidine nitrate; Guanidine nitrate; 硝酸胍; 胍 硝酸酯; 硝酸胍

Database IDs

• CAS Number: 506-93-4
• EC Number: 208-060-1
• MDL Number: MFCD00013028
• Beilstein Number: 3596600
• Merck Index: 144562
• PubChem SID: 24854032; 24873458; 162221943
• PubChem CID: 10481
• Chemspider ID: 10049
• Wikipedia Title: Guanidine_nitrate

CALCULATED PROPERTIES

• Acid pKa: -1.3999903
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): -3.6522877
• LogD (pH = 7.4): -3.6514976
• Log P: -1.236839
• Molar Refractivity: 25.8588 cm^3
• Polarizability: 5.61125 Å^3
• Polar Surface Area: 75.89 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: CH₆N₄O₃ in water
• Apperance: White solid
• Melting Point: 213°C; 213-215 °C; 213-215 °C(lit.); 213-216°C
• Boiling Point: (Decomposes below boiling point)
• Density: 1.436 g/cm^3; 1.44

Safety Information

• RTECS: MF4350000
• European Hazard Symbols: Oxidising (O); X; Irritant (Xi)
• UN Number: 1467; UN1467
• German water hazard class: 1
• Hazard Class: 5.1
• Packing Group: 3; III
• Risk Statements: 8-22-36/37/38; 8-22-36/38-52/53; R20 R21 R22 R36 R38
• Safety Statements: 17-26-36; 17-26-36/37-61; R
• TSCA Listed: 是
• GHS Pictograms: GHS03; GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  1

  2

  4

  E
• GHS Hazard statements: H272-H302-H315-H319-H335; H272-H302-H315-H319-H402-H412
• GHS Precautionary statements: P220-P261-P305 + P351 + P338; P221-P210-P305+P351+P338-P302+P352-P321-P501A
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 1467 5.1/PG 3

Product Information

• Purity: ≥98.0% (NT); 98%
• Grade: purum
• Linear Formula: NH2C(=NH)NH2 · HNO3

DETAILS

Sigma Aldrich - 234249

Packaging
1 kg in poly bottle
100 g in poly bottle