117067-62-6

Basic information

• Product Name: 2-CHLOROETHANOL-1,1,2,2-D4
• Synonyms: 2-CHLOROETHANOL-1,1,2,2-D4;2-CHLOROETHANOL-1,1,2,2-D4, 98 ATOM % D;Ethan-1,1,2,2-d4-ol, 2-chloro-;Ethylene-d4 chlorohydrin;Ethan-1,1,2,2-d4-ol,2-chloro- (9CI)
• CAS NO: 117067-62-6
• Molecular Formula: C2HClD4O
• Molecular Weight: 84.54
• Product Categories: Isotope Labelled Compounds, Miscellaneous Reagents
• Mol File: 117067-62-6.mol
• Article Data: 1

Chemical Properties

• Melting Point: −89 °C(lit.)
• Boiling Point: 129 °C(lit.)
• Flash Point: 140 °F
• Appearance: /
• Density: 1.260 g/mL at 25 °C
• Vapor Pressure: 4.79mmHg at 25°C
• Refractive Index: n20/D 1.441(lit.)
• CAS DataBase Reference: 2-CHLOROETHANOL-1,1,2,2-D4(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CHLOROETHANOL-1,1,2,2-D4(117067-62-6)
• EPA Substance Registry System: 2-CHLOROETHANOL-1,1,2,2-D4(117067-62-6)

Safety Data

• Hazard Codes: T+
• Statements: 26/27/28-37/38-40-41
• Safety Statements: 53-16-36/37/39-45-28-7/9
• RIDADR: UN 1135 6.1/PG 1
• WGK Germany: 3
• Hazardous Substances Data: 117067-62-6(Hazardous Substances Data)

Usage

Chemical Properties

Colourless Oil

Uses

2-CHLOROETHANOL-1,1,2,2-D4 is used in the preparation of TTFTT (tetrathiafulvalene-2,3,6,7-tetrathiolate) and important building block in TTF syntheis. In addition, it is used in the synthesis of vinyltriazoles.

InChI:InChI=1/C2H5ClO/c3-1-2-4/h4H,1-2H2/i1D2,2D2

Upstream product

• 683-73-8 Ethylene-d4 

Relevant articles and documents

Infrared Photodissociation of Hydrogen-Bonded Complexes Trapped in Inert Matrices. The Ethylene Oxide-Hydrogen Iodide System

Matix isolation infrared spectroscopy applied to the ethylene oxide/H(D)I system trapped in solid Ar and N2 allows identification of several kinds of hydrogen-bonded complexes: a 1:1 species which exists under different structures and larger aggregates giving rise to proton transfer with formation of ionic species of the type + or (IHI)- characterized by quasi-symmetrical single-minimum potential functions for the proton (proton sharing).The interconversion between the hydrogen-bonded (C) and the non-hydrogen-bonded (U) form of the 1:1 complex is seen to depend on two parameters: temperature and infrared irradiation.Kinetic measurements of the disappearance (or appearance) of C have shown that the C->U conversion is mainly induced by IR radiations in the range 1500-2300 cm-1, corresponding to the excitation of νs (HI stretching mode), while the CU conversion rate with DI suggests a barrier greater than 1500 cm1- for this photoprocess.