(E)-1,2-dichloroethene

• ChemBase ID: 107059
• Molecular Formular: C2H2Cl2
• Molecular Mass: 96.94328
• Monoisotopic Mass: 95.95335542
• SMILES: Cl/C=C/Cl
• Canonical SMILES: Cl/C=C/Cl
• InChI: InChI=1S/C2H2Cl2/c3-1-2-4/h1-2H
• InChIKey: KFUSEUYYWQURPO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-1,2-dichloroethene; 1,2-dichloroethene
• IUPAC Traditional name: trans-1,2-dichloroethylene; dichloroethylene
• Synonyms: trans-1,2-Dichloroethene; trans-Acetylene dichloride; trans-1,2-Dichloroethylene; 1,2-Dichloroethylene, mixture of cis and trans; trans-ACETYLENE DICHLORIDE; trans-1,2-Dichloroethylene; trans-1,2-Dichloroethene; 1,2-dichloroethylene; 反-1,2-二氯乙烯; 反式二氯化乙炔; 反式-1,2-二氯乙烯; 1,2-二氯乙烯，顺反异构体混合物; 反式-1,2-二氯乙烯; 反-1,2-二氯乙烯

Database IDs

• CAS Number: 156-60-5; 156-59-2; 540-59-0
• EC Number: 205-860-2; 208-750-2; 205-859-7
• MDL Number: MFCD00062942; MFCD00000925
• Beilstein Number: 1420761
• Merck Index: 1492
• PubChem SID: 24894013; 162093153; 24863009; 24872050; 24894012; 24861755
• PubChem CID: 638186

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: -50 °C(lit.); -50°C; -57 - -55°C; -57 °C(lit.); -80.5°C
• Boiling Point: 47-49°C; 48 °C(lit.); 48-60 °C(lit.); 60.3°C
• Flash Point: 2°C(35°F); 42.8 °F; 6 °C
• Density: 1.252; 1.257 g/ml; 1.257 g/mL at 25 °C(lit.); 1.265 g/mL at 25 °C(lit.)
• Refractive Index: 1.4455; n20/D 1.446; n20/D 1.446(lit.); n20/D 1.447(lit.)
• Vapor Pressure: 5.16 psi ( 20 °C); 5.32 psi ( 20 °C)
• Hydrophobicity(logP): 1.774

Safety Information

• RTECS: KV9360000; KV9400000; KV9420000
• European Hazard Symbols: Flammable (F); X; Harmful (Xn)
• UN Number: 1150; UN1150
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20-52/53; R:11-20-52/53
• Safety Statements: 7-16-29-61; S:7-16-29-61
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• Explode Limits: 12.8 %
• GHS Hazard statements: H225-H302-H332-H402-H412; H225-H332-H412
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P403+P235-P501A; 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

Product Information

• Purity: ≥97.0% (GC); 95%; 98%; 98%, stab. with 4-methoxyphenol
• Grade: analytical standard; analytical standard, for environmental analysis; purum
• Packaging: ampule of 5000 mg
• Contains: 0.02% 2,6-di-tert-butyl-p-cresol as stabilizer; 0.1% 1,2-epoxybutane as stabilizer
• Quality: amylene stabilized
• Linear Formula: ClCH=CHCl

DETAILS

MP Biomedicals - 05202392

MP Biomedicals Rare Chemical collection

Sigma Aldrich - D62209

Packaging
5, 25, 100 g in ampule

Sigma Aldrich - D62403

Packaging
25, 100 mL in ampule