1,1-dichloroethene

• ChemBase ID: 125087
• Molecular Formular: C2H2Cl2
• Molecular Mass: 96.94328
• Monoisotopic Mass: 95.95335542
• SMILES: ClC(=C)Cl
• Canonical SMILES: ClC(=C)Cl
• InChI: InChI=1S/C2H2Cl2/c1-2(3)4/h1H2
• InChIKey: LGXVIGDEPROXKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1-dichloroethene
• IUPAC Traditional name: vinylidene chloride
• Synonyms: 1,1-Dichloroethylene; 1,1-DCE; vinylidene chloride; vinylidene dichloride; 1,1-Dichloroethene; 1,1-Dichloroethylene; 1,1-Dichloroethene; Vinylidene chloride; 偏二氯乙烯; 1,1-二氯乙烯; 1,1-二氯乙烯; 氯化亚乙烯

Database IDs

• CAS Number: 75-35-4
• EC Number: 200-864-0
• MDL Number: MFCD00011653
• Beilstein Number: 1733365
• Merck Index: 149996
• PubChem SID: 162219437; 24850019; 24845322; 24872048
• PubChem CID: 6366
• Chemspider ID: 6126
• KEGG ID: C14039
• Unique Ingredient Identifier: 21SK105J9D
• Wikipedia Title: 1,1-Dichloroethene

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.8611373
• LogD (pH = 7.4): 1.8611373
• Log P: 1.8611373
• Molar Refractivity: 30.3754 cm^3
• Polarizability: 7.9478197 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -122 °C; -122 °C(lit.); -123°C
• Boiling Point: 30-32 °C; 30-32 °C(lit.); 30-32°C; 32 °C
• Flash Point: -13 °F; -22.8 °C; -25 °C; -25°C(-13°F)
• Auto Ignition Point: 968 °F
• Density: 1.213; 1.213 g/cm3; 1.213 g/mL at 20 °C(lit.)
• Refractive Index: 1.4255; n20/D 1.426
• Vapor Pressure: 9.68 psi ( 20 °C)
• Vapor Density: 3.46 (vs air)
• Dipole Moment: 1.3 D

Safety Information

• Storage Warning: Light Sensitive
• RTECS: KV9275000
• European Hazard Symbols: Highly flammable (F+); X; Harmful (Xn)
• UN Number: 1303; UN1303
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 1; I
• Risk Statements: 12-20-40
• Safety Statements: 7-16-29-36/37-46
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07; GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  4

  2

  2
• Explode Limits: 15.5 %
• GHS Hazard statements: H224-H332-H351; H224-H351-H332
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P405-P501A; P210-P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1303 3/PG 1
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥99.5% (GC); ≥99.9% (GC); 99%; 99%, stab. with 200 ppm 4-methoxyphenol
• Grade: analytical standard; puriss.
• Packaging: ampule of 5000 mg
• Contains: ~0.02% 4-methoxyphenol as stabilizer; 200 ppm MEHQ as inhibitor
• Shelf Life: (limited shelf life, expiry date on the label)
• Linear Formula: CH2=CCl2

DETAILS

Sigma Aldrich - 163023

Packaging
100, 500 g in glass bottle
100, 500 mL in glass bottle