oxidanone

• ChemBase ID: 136723
• Molecular Formular: O2
• Molecular Mass: 31.9988
• Monoisotopic Mass: 31.98982924
• SMILES: O=O
• Canonical SMILES: O=O
• InChI: InChI=1S/O2/c1-2
• InChIKey: MYMOFIZGZYHOMD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxidanone
• IUPAC Traditional name: singlet oxygen
• Synonyms: Oxygen; AQUANAL™-plus oxygen (O2) 1-12 mg/L; 氧气; AQUANAL™-plus 氧气 (O2) 1-12mg/L

Database IDs

• CAS Number: 7782-44-7
• EC Number: 231-956-9
• MDL Number: MFCD00011434
• PubChem SID: 24845041; 162230993; 24863294; 24857799; 24863326
• PubChem CID: 977

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.27723172
• LogD (pH = 7.4): -0.27723172
• Log P: -0.27723172
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 1.478656 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -218 °C(lit.)
• Boiling Point: -183 °C(lit.)
• Vapor Density: 1.11 (vs air)

Safety Information

• RTECS: RS2060000
• European Hazard Symbols: Corrosive (C); Oxidising (O)
• UN Number: 1072; 1824
• German water hazard class: nwg
• Hazard Class: 2.2; 8
• Packing Group: 3
• Risk Statements: 34-37-48/20/22-52/53; 8
• Safety Statements: 26-36/37/39-45-61
• GHS Pictograms: GHS03; GHS04; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H270-H280; H314-H335-H373-H412
• GHS Precautionary statements: P220-P410 + P403; P261-P273-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US); Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1072 2.2; UN 1824 8/PG 3

Product Information

• Purity: ≥99.6%; ≥99.998%
• Impurities: ≤10 ppm water
• Usage: sufficient for 30 tests
• Measuring range: 0.5-12 mg/L, (photometric, Spectro 3); 1-12 mg/L, (color chart)
• Linear Formula: O2
• Empirical Formula (Hill Notation): O2

DETAILS

Sigma Aldrich - 295604

Packaging
56 L in steel cylinder
Recommended products
Brass control valve Z146943 or either of brass regulators Z146706 and Z146714 is recommended.

Sigma Aldrich - 00476

Other Notes
Sales restrictions may apply
Packaging
pressure tinfilling pressure at 15°C: 11 bar; content (15°C, 1 bar): 11 l; Recommended valves see section ′Tools/Valves and Adapter for Cylinders′ in the annex of the Fluka-Riedel-Catalog or under www.sigmaaldrich.com/fluka/bulletin/fl_analytix_v5_n7.pdf

Sigma Aldrich - 37428

Analysis Note
Methodmodified method according to WInklerGradation (color chart)0 - 1 - 3 - 5 - 7 - 9 - 12 mg/L (O2)
Legal Information
AQUANAL is a trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 32021

Analysis Note
also for photometric evaluation
Legal Information
AQUANAL is a trademark of Sigma-Aldrich Co. LLC