1,3,5-triazine-2,4,6-triol; hydrazine

• ChemBase ID: 152220
• Molecular Formular: C3H7N5O3
• Molecular Mass: 161.11938
• Monoisotopic Mass: 161.05488911
• SMILES: c1(nc(nc(n1)O)O)O.NN
• Canonical SMILES: Oc1nc(O)nc(n1)O.NN
• InChI: InChI=1S/C3H3N3O3.H4N2/c7-1-4-2(8)6-3(9)5-1;1-2/h(H3,4,5,6,7,8,9);1-2H2
• InChIKey: REWJAYUHYGWDJT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,3,5-triazine-2,4,6-triol; hydrazine
• IUPAC Traditional name: cyanuric acid; diamine
• Synonyms: Hydrazine cyanurate; 肼基氰尿酸盐

Database IDs

• CAS Number: 18836-29-8
• EC Number: 242-618-5
• MDL Number: MFCD00043299
• PubChem SID: 162246365; 24878317
• PubChem CID: 16217016

CALCULATED PROPERTIES

• Acid pKa: 13.5854
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): 0.9813941
• LogD (pH = 7.4): 0.9813938
• Log P: 0.9813941
• Molar Refractivity: 28.3023 cm^3
• Polarizability: 9.800924 Å^3
• Polar Surface Area: 99.36 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 23/24/25
• Safety Statements: 36/37/39-45
• GHS Pictograms: GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H311-H331
• GHS Precautionary statements: P261-P280-P301 + P310-P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 2

Product Information

• Purity: ≥99.0% (T)
• Linear Formula: NH2NH2 · C3H3N3O3

DETAILS

Sigma Aldrich - 53828

Other Notes
Reagent for the preparation of anhydrous hydrazine of high purity1
Packaging
10 g in glass bottle