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: 2024-10-23 13:36:13
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 | n |
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) |
Flame Flammables GHS02 Exclamation Mark Irritant GHS07 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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