1,1,1,2-tetrachloroethane

• ChemBase ID: 125082
• Molecular Formular: C2H2Cl4
• Molecular Mass: 167.84928
• Monoisotopic Mass: 165.89106078
• SMILES: ClCC(Cl)(Cl)Cl
• Canonical SMILES: ClCC(Cl)(Cl)Cl
• InChI: InChI=1S/C2H2Cl4/c3-1-2(4,5)6/h1H2
• InChIKey: QVLAWKAXOMEXPM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,2-tetrachloroethane
• IUPAC Traditional name: tetrachloroethane
• Synonyms: 1,1,1,2-Tetrachloroethane; R-130a; 1,1,1,2-Tetrachloroethane; 1,1,1,2-四氯乙烷

Database IDs

• CAS Number: 630-20-6
• EC Number: 211-135-1
• MDL Number: MFCD00000807
• Beilstein Number: 1733216
• PubChem SID: 24869982; 162219432; 24900439; 24845351
• PubChem CID: 12418
• CHEBI ID: 34024
• CHEMBL: 155816
• Chemspider ID: 11911
• KEGG ID: C14705
• Wikipedia Title: 1,1,1,2-Tetrachloroethane

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.4111707
• LogD (pH = 7.4): 2.4111707
• Log P: 2.4111707
• Molar Refractivity: 31.2668 cm^3
• Polarizability: 12.115737 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Clear liquid
• Melting Point: -70.2°C
• Boiling Point: 130.5°C; 138 °C(lit.)
• Density: 1.5532 g/cm^3; 1.598 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.481; n20/D 1.481(lit.); n20/D 1.483

Safety Information

• RTECS: KI8450000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 2810
• German water hazard class: 2
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 20/22-40-41; 22-40-41
• Safety Statements: 26-36; 26-39
• GHS Pictograms: GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H318-H332-H351
• GHS Precautionary statements: P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2810 6.1/PG 3

Product Information

• Purity: ≥98.0% (GC); ≥99.0% (GC); 99%
• Grade: analytical standard, for environmental analysis; purum; ReagentPlus®
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: ClCH2CCl3

DETAILS

Sigma Aldrich - T7209

Packaging
25, 100 g in glass bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC