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

Description

2-CHLOROETHANOL-1,1,2,2-D4 is a colorless oil with unique chemical properties that make it a valuable compound in various synthetic applications. It is a deuterated version of 2-chloroethanol, which is a chlorinated organic compound. The presence of deuterium (D) in the molecule provides it with distinct characteristics compared to its non-deuterated counterpart, making it useful in specific chemical reactions and analyses.

Uses

Used in Organic Synthesis:
2-CHLOROETHANOL-1,1,2,2-D4 is used as a key intermediate in the preparation of TTFTT (tetrathiafulvalene-2,3,6,7-tetrathiolate), which is an important building block in TTF (tetrathiafulvalene) synthesis. TTF is a well-known organic conductor and redox system, widely used in molecular electronics and materials science.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 2-CHLOROETHANOL-1,1,2,2-D4 is utilized in the synthesis of vinyltriazoles, which are important compounds with potential applications in drug development. Vinyltriazoles can be used as precursors for the development of new pharmaceuticals, particularly those with anti-inflammatory, antimicrobial, and anticancer properties.
Used in Chemical Research:
Due to its deuterated nature, 2-CHLOROETHANOL-1,1,2,2-D4 is also used in chemical research for studying reaction mechanisms and kinetics. The presence of deuterium can help in understanding the role of hydrogen bonding and the isotope effect in various chemical processes, providing valuable insights for the development of new synthetic methods and strategies.

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.