1,1,2,2-tetrachloro(1,2-13C2)ethane

• ChemBase ID: 135524
• Molecular Formular: C2H2Cl4
• Molecular Mass: 169.83458968
• Monoisotopic Mass: 167.89777046
• SMILES: [13CH]([13CH](Cl)Cl)(Cl)Cl
• Canonical SMILES: Cl[13CH]([13CH](Cl)Cl)Cl
• InChI: InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H/i1+1,2+1
• InChIKey: QPFMBZIOSGYJDE-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrachloro(1,2-^1^3C₂)ethane
• IUPAC Traditional name: 1,1,2,2-tetrachloro(1,2-^1^3C₂)ethane
• Synonyms: 1,1,2,2-Tetrachloroethane-13C2; 1,1,2,2-四氯乙烷-13C2

Database IDs

• CAS Number: 212266-24-5
• MDL Number: MFCD00142361
• PubChem SID: 162229798
• PubChem CID: 71309291

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.8379052
• LogD (pH = 7.4): 2.8379052
• Log P: 2.8379052
• Molar Refractivity: 30.7638 cm^3
• Polarizability: 12.106033 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1702
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2
• Risk Statements: 26/27-51/53
• Safety Statements: 38-45-61
• GHS Pictograms: GHS06; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H310-H330-H411
• GHS Precautionary statements: P260-P273-P280-P284-P302 + P350-P310
• RID/ADR: UN 1702 6.1/PG 2

Product Information

• Purity: 98% (CP)
• Isotopic Purity: 99 atom % 13C
• Empirical Formula (Hill Notation): 13C2H2Cl4

DETAILS

Sigma Aldrich - 677566

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.