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HomeProduct name listCHLOROBENZENE-D5

CHLOROBENZENE-D5

Synonym(s):Pentadeuterochlorobenzene

  • CAS NO.:3114-55-4
  • Empirical Formula: C6ClD5
  • Molecular Weight: 117.59
  • MDL number: MFCD00000531
  • EINECS: 221-482-0
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-28 23:16:16
CHLOROBENZENE-D5 Structural

What is CHLOROBENZENE-D5?

Chemical properties

clear colorless liquid

The Uses of CHLOROBENZENE-D5

Chlorobenzene-d5 is a halogenated D5 chlorobenzene for proteomics research. It is a precursor to deuterated dyes and rubbers. It is used as a high-boiling solvent in industrial applications.

What are the applications of Application

Chlorobenzene-d5 is a halogenated D5 chlorobenzene for proteomics research

General Description

Chlorobenzene-d5 is a deuterated derivative of chlorobenzene having an isotopic purity of 99atom%D. 1HNMR (Proton Nuclear Magnetic Resonance) and 2HNMR (Deuterium NMR) spectra of chlorobenzene-d5 were studied in liquid crystal solvents to evaluate the quadrupolar coupling constants (DQCC) and the asymmetry parameters (η) for the deuterons. Values reported were as: DQCCortho = 180(2)kHz, ηortho = 0.06(1), DQCCmeta = 174(2)kHz, ηmeta = 0.09(3), DQCCpara= 182(4)kHz, ηPara = 0.06(4)].

Properties of CHLOROBENZENE-D5

Boiling point: 130-130.5 °C (lit.)
Density  1.157 g/mL at 25 °C (lit.)
refractive index  n20/D 1.522(lit.)
Flash point: 75 °F
storage temp.  2-8°C
solubility  soluble in Chloroform, Ethyl Acetate
form  Solid
color  White
Water Solubility  Not miscible with water.
BRN  1866335
CAS DataBase Reference 3114-55-4(CAS DataBase Reference)
EPA Substance Registry System Chlorobenzene-d5 (3114-55-4)

Safety information for CHLOROBENZENE-D5

Signal word Warning
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
ghs
Environment
GHS09
GHS Hazard Statements H226:Flammable liquids
H315:Skin corrosion/irritation
H332:Acute toxicity,inhalation
H411:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P233:Keep container tightly closed.
P240:Ground/bond container and receiving equipment.
P273:Avoid release to the environment.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.

Computed Descriptors for CHLOROBENZENE-D5

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