1,2-dichloroethene

• ChemBase ID: 125102
• Molecular Formular: C2H2Cl2
• Molecular Mass: 96.94328
• Monoisotopic Mass: 95.95335542
• SMILES: ClC=CCl
• Canonical SMILES: ClC=CCl
• InChI: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H
• InChIKey: KFUSEUYYWQURPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dichloroethene; (Z)-1,2-dichloroethene
• IUPAC Traditional name: dichloroethylene; cis-1,2-dichloroethene
• Synonyms: 1,2-Dichloroethylene; 1,2-DCE; 1,2-Dichloroethene; cis-Acetylene dichloride; cis-1,2-Dichloroethylene; cis-1,2-Dichloroethylene; cis-1,2-Dichloroethene; 顺式二氯化乙炔; 顺式-1,2-二氯乙烯; 顺式-1,2-二氯乙烯; 顺-1,2-二氯乙烯

Database IDs

• CAS Number: 156-59-2; 156-60-5; 540-59-0
• EC Number: 205-859-7
• MDL Number: MFCD00000925
• Beilstein Number: 1071208
• PubChem SID: 24863008; 24861754; 162219452; 24894011; 24872155
• PubChem CID: 10900
• CHEBI ID: 18882
• Chemspider ID: 10438
• KEGG ID: C06792
• Wikipedia Title: 1,2-Dichloroethene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.741204
• LogD (pH = 7.4): 1.741204
• Log P: 1.741204
• Molar Refractivity: 19.579 cm^3
• Polarizability: 7.9331503 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -80 °C(lit.); Z: -81.47 °C; E: -49.44 °C
• Boiling Point: 60 °C(lit.); Z: 60.2 °C; E: 48.5 °C
• Flash Point: 42.8 °F; 6 °C
• Density: 1.284 g/mL at 25 °C(lit.); Z: 1.28 g/cm3; E: 1.26 g/cm3
• Refractive Index: n20/D 1.449; n20/D 1.449(lit.)
• Dipole Moment: Z (cis): 1.9 D; E (trans): 0 D

Safety Information

• RTECS: KV9420000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• UN Number: 1150
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-20-52/53
• Safety Statements: 7-16-29-61
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H332-H412
• GHS Precautionary statements: P210-P273
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1150 3/PG 2
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥95.0% (GC); 97%
• Grade: analytical standard; analytical standard, for environmental analysis; purum
• Packaging: ampule of 1000 mg
• Quality: amylene stabilized
• Linear Formula: ClCH=CHCl

DETAILS

Sigma Aldrich - D62004

Packaging
1, 10, 50 g in ampule