tetrachloro(1,2-13C2)ethene

• ChemBase ID: 135246
• Molecular Formular: C2Cl4
• Molecular Mass: 167.81870968
• Monoisotopic Mass: 165.8821204
• SMILES: [13C](=[13C](Cl)Cl)(Cl)Cl
• Canonical SMILES: Cl[13C](=[13C](Cl)Cl)Cl
• InChI: InChI=1S/C2Cl4/c3-1(4)2(5)6/i1+1,2+1
• InChIKey: CYTYCFOTNPOANT-ZDOIIHCHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrachloro(1,2-^1^3C₂)ethene
• IUPAC Traditional name: tetrachloro(1,2-^1^3C₂)ethene
• Synonyms: Tetrachloroethylene-13C2; 1,1,2,2-Tetrachloroethene-13C2; Ankilostin-13C2; Antisal 1-13C2; Asahi Perchlor-13C2; Didakene-13C2; Dilatin PT-13C2; Ethylene Tetrachloride-13C2; F 1110-13C2; NSC 9777; Nema; PCE; PerSec; Perchlorethylene; Perchloroethene; Perchloroethylene; Perclene; Perklone; Persa P 3; R 1110; Tetlen; Tetracap; Tetrachlorethylene; Tetrachloroethene; Tetraguer; Tetraleno; Tetropil; Tetrachloroethylene-13C2; 四氯乙烯-13C2

Database IDs

• CAS Number: 32488-49-6
• MDL Number: MFCD01073824
• PubChem SID: 162229521
• PubChem CID: 71309174

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6154656
• LogD (pH = 7.4): 2.6154656
• Log P: 2.6154656
• Molar Refractivity: 50.775 cm^3
• Polarizability: 11.909631 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -22 °C(lit.)
• Boiling Point: 121 °C(lit.)
• Density: 1.630 g/mL at 25 °C
• Mass Shift: M+2

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 40-51/53
• Safety Statements: 23-36/37-61
• GHS Pictograms: GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H351-H411
• GHS Precautionary statements: P273-P281

Product Information

• Isotopic Purity: 99 atom % 13C
• Mol. Weight: mol wt 167.80 by atom % calculation
• Linear Formula: Cl213C=13CCl2

DETAILS

Sigma Aldrich - 606693

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.

Toronto Research Chemicals - T291387

Labelled Tetrachloroethylene.