trichloro(2H3)ethane

• ChemBase ID: 134966
• Molecular Formular: C2H3Cl3
• Molecular Mass: 133.40422
• Monoisotopic Mass: 131.93003314
• SMILES: CC(Cl)(Cl)Cl
• Canonical SMILES: CC(Cl)(Cl)Cl
• InChI: InChI=1S/C2H3Cl3/c1-2(3,4)5/h1H3
• InChIKey: UOCLXMDMGBRAIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trichloro(^2H₃)ethane
• IUPAC Traditional name: trichloro(^2H₃)ethane
• Synonyms: Methylchloroform-d3; 1,1,1-Trichloroethane-2,2,2-d3; 甲基氯仿-d3; 1,1,1-三氯乙烷-2,2,2-d3

Database IDs

• MDL Number: MFCD00142359
• PubChem SID: 162229241
• PubChem CID: 12291800

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.0759518
• LogD (pH = 7.4): 2.0759518
• Log P: 2.0759518
• Molar Refractivity: 26.2173 cm^3
• Polarizability: 10.149605 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -35 °C(lit.)
• Boiling Point: 74-76 °C(lit.)
• Density: 1.366 g/mL
• Mass Shift: M+3

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 2831
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20-59
• Safety Statements: 24/25-59-61
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H332
• GHS Precautionary statements: P273-P501
• RID/ADR: UN 2831 6.1/PG 3

Product Information

• Purity: 99% (CP)
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 136.36 by atom % calculation
• Linear Formula: Cl3CCD3

DETAILS

Sigma Aldrich - 617067

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.