1,1,2,2-tetrachloroethane

• ChemBase ID: 125084
• Molecular Formular: C2H2Cl4
• Molecular Mass: 167.84928
• Monoisotopic Mass: 165.89106078
• SMILES: ClC(Cl)C(Cl)Cl
• Canonical SMILES: ClC(C(Cl)Cl)Cl
• InChI: InChI=1S/C2H2Cl4/c3-1(4)2(5)6/h1-2H
• InChIKey: QPFMBZIOSGYJDE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,2,2-tetrachloroethane
• IUPAC Traditional name: 1,1,2,2-tetrachloroethane
• Synonyms: s-Tetrachloroethane; Acetylene tetrachloride; R-130; TeCA; 1,1,2,2-Tetrachloroethane; 1,1,2,2-Tetrachloroethane; 四氯乙炔; 1,1,2,2-四氯乙烷

Database IDs

• CAS Number: 79-34-5
• EC Number: 201-197-8
• MDL Number: MFCD00000848
• Beilstein Number: 969206
• Merck Index: 149189
• PubChem SID: 162219434; 24845327; 24872030; 24851138; 24888839
• PubChem CID: 6591
• CHEBI ID: 36026
• CHEMBL: 47258
• Chemspider ID: 6342
• KEGG ID: C19534
• Wikipedia Title: 1,1,2,2-Tetrachloroethane

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

• Solubility: 1 g/350 mL in water
• Apperance: Clear liquid; colorless; slightly green-yellow
• Melting Point: -43 °C(lit.); -43°C; -44°C; 64 - 66°C
• Boiling Point: 142-146°C; 146.5°C; 147 °C(lit.)
• Density: 1.586 g/mL at 25 °C(lit.); 1.59 g/cm^3; 1.596
• Refractive Index: 1.4935; n20/D 1.494; n20/D 1.494(lit.)
• Vapor Pressure: 8 mmHg ( 20 °C)
• Vapor Density: 5.8 (vs air)
• Hydrophobicity(logP): 2.644

Safety Information

• RTECS: KI8575000
• European Hazard Symbols: Nature polluting (N); Highly toxic (T+)
• UN Number: 1702; UN1702
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 26/27-40-68-51/53; 26/27-51/53
• Safety Statements: 38-45-61
• TSCA Listed: 是
• GHS Pictograms: GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H310-H330-H341-H351-H411; H310-H330-H411
• GHS Precautionary statements: P260-P273-P280-P284-P302 + P350-P310; P260-P304+P340-P320-P361-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1702 6.1/PG 2

Product Information

• Purity: ≥95.0% (GC); ≥97.0%; ≥98.0%; ≥98.0% (GC); ≥99.5% (GC); 95%; 97%; 98+%
• Grade: analytical standard; analytical standard, for environmental analysis; JIS special grade; puriss. p.a.; purum; reagent grade
• Packaging: ampule of 1000 mg
• Impurities: ≤2% pentachloroethane
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CHCl2CHCl2

DETAILS

Sigma Aldrich - 185434

Packaging
1 L in Sure/Seal™
500 mL in Sure/Seal™
5 mL in glass bottle