(13C2)oxalic dichloride

• ChemBase ID: 135673
• Molecular Formular: C2Cl2O2
• Molecular Mass: 128.91150968
• Monoisotopic Mass: 127.93424428
• SMILES: [13C](=O)([13C](=O)Cl)Cl
• Canonical SMILES: Cl[13C](=O)[13C](=O)Cl
• InChI: InChI=1S/C2Cl2O2/c3-1(5)2(4)6/i1+1,2+1
• InChIKey: CTSLXHKWHWQRSH-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (^1^3C₂)oxalic dichloride
• IUPAC Traditional name: (^1^3C₂)oxalic dichloride
• Synonyms: Oxalyl-13C2 chloride; 草酰-13C2 氯

Database IDs

• CAS Number: 92314-65-3
• MDL Number: MFCD09842682
• PubChem SID: 162229946
• PubChem CID: 12998418

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.8029077
• LogD (pH = 7.4): 0.8029077
• Log P: 0.8029077
• Molar Refractivity: 22.1556 cm^3
• Polarizability: 8.683687 Å^3
• Polar Surface Area: 34.14 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 62-65 °C
• Density: 1.523 g/mL at 25 °C
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 14-20-29-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314-H332
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 2922 8/PG 1

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 99 atom % 13C
• Empirical Formula (Hill Notation): 13C2Cl2O2

DETAILS

Sigma Aldrich - 665428

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.