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HomeProduct name listBenzene-D6

Benzene-D6

Synonym(s):Benzene-D6;Hexadeuterobenzene

  • CAS NO.:1076-43-3
  • Empirical Formula: C6D6
  • Molecular Weight: 84.15
  • MDL number: MFCD00003010
  • EINECS: 214-061-8
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-12-18 14:08:52
Benzene-D6  Structural

What is Benzene-D6 ?

Chemical properties

Benzene-d6 is a flammable, viscous organic solvent with the formula C6D6. It is used to dissolve a wide range of compounds and has a density of 0.87 g/cm3 (20 oC).The 1H-NMR spectrum of deuterated benzene comprises of a singlet at 7.16 ppm (vs. TMS). The 13C-NMR spectrum consists of a triplet of equal intensity at 128.39 ppm (vs. TMS). The water resonance is at 0.5 ppm. Benzene-d6 is slightly hygroscopic and thus some care should be taken to minimize contact of the solvent with atmospheric water.

The Uses of Benzene-D6

BENZENE-D6 is a common solvent used in NMR spectroscopy.

The Uses of Benzene-D6

Isotope labelled benzene, an organic compound that is a natural constituent of crude oil and one of the most basic petrochemicals.

The Uses of Benzene-D6

Benzene-d6 is a solvent used in nuclear magnetic resonance spectroscopy (NMR).

Definition

ChEBI: Benzene-d6 is a deuterated compound, a member of benzenes, an aromatic annulene and a volatile organic compound.

What are the applications of Application

Isotope labelled benzene, an organic compound that is a natural constituent of crude oil and one of the most basic petrochemicals.

General Description

Benzene-d6 (C6D6) is deuterated benzene. Its Soret coefficient S(T) has been measured by transient holographic grating technique. Its synthesis,13C NMR, IR and MS spectra have been reported.

Purification Methods

Hexadeuteriobenzene of 99.5% purity is refluxed over and distilled from CaH2 onto Linde type 5A sieves under N2. [Beilstein 5 III 518, 5 IV 630.]

Properties of Benzene-D6

Melting point: 6.8 °C(lit.)
Boiling point: 79.1 °C(lit.)
Density  0.950 g/mL at 25 °C(lit.)
vapor pressure  101 hPa (20 °C)
refractive index  n20/D 1.497(lit.)
Flash point: 12 °F
storage temp.  no restrictions.
solubility  Miscible with most organic solvents.
form  Liquid
color  Colorless
Specific Gravity 0.950
explosive limit 1.4-8.0%(V)
Water Solubility  Slightly Soluble in water.
Sensitive  Moisture Sensitive
BRN  1905426
Exposure limits ACGIH: TWA 0.5 ppm; STEL 2.5 ppm (Skin)
OSHA: Ceiling 25 ppm; TWA 10 ppm; TWA 1 ppm; STEL 5 ppm
NIOSH: IDLH 500 ppm; TWA 0.1 ppm; STEL 1 ppm
Stability: Stable. Incompatible with oxidizing agents, acids, bases, halogens, metal salts. Protect from moisture. Highly flammable.
CAS DataBase Reference 1076-43-3(CAS DataBase Reference)
EPA Substance Registry System Benzene-d6 (1076-43-3)

Safety information for Benzene-D6

Signal word Danger
Pictogram(s)
ghs
Flame
Flammables
GHS02
ghs
Exclamation Mark
Irritant
GHS07
ghs
Health Hazard
GHS08
GHS Hazard Statements H225:Flammable liquids
H304:Aspiration hazard
H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H340:Germ cell mutagenicity
H350:Carcinogenicity
H372:Specific target organ toxicity, repeated exposure
H412:Hazardous to the aquatic environment, long-term hazard
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P273:Avoid release to the environment.
P331:Do NOT induce vomiting.
P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P303+P361+P353:IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

Computed Descriptors for Benzene-D6

InChIKey UHOVQNZJYSORNB-MZWXYZOWSA-N

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