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| | Benzene-D6 Basic information |
| Product Name: | Benzene-D6 | | Synonyms: | BENZENE-D6 (D, 99.96%) (+0.03% V/V TMS);BENZENE-D6 (D, 99.96%);BENZENE-D6 (D, 99.5%);Benzene-d6, isotopic purity;Benzene-D6C6d6;Benzene-d6, 100 atom % D;Benzene-d6, contains 1 v/v% TMS, 99.5 atom % D;Benzene-d6, packaged in 0.50 ml ampules, 100.0 atom % D, for NMR | | CAS: | 1076-43-3 | | MF: | C6D6 | | MW: | 84.15 | | EINECS: | 214-061-8 | | Product Categories: | Analytical Chemistry;Deuterated Compounds for NMR;NMR Spectrometry;600 Series Wastewater Methods;EPA;Method 624;Benzene-d6;Aldrich High Purity NMR Solvents for Routine NMR;Alphabetical Listings;B;High Throughput NMR;Labware;NMR;NMR Solvents;NMR Solvents and Reagents;Routine NMR;Solvent by Application;Solvents;Solvents for High Throughput NMR;Spectroscopy Solvents (IR;Stable Isotopes;Tubes and Accessories;UV/Vis) | | Mol File: | 1076-43-3.mol |  |
| | Benzene-D6 Chemical Properties |
| 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.) | | Fp | 12 °F | | storage temp. | no restrictions. | | solubility | Miscible with most organic solvents. | | form | Liquid | | Specific Gravity | 0.950 | | color | Colorless | | 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. | | InChIKey | UHOVQNZJYSORNB-MZWXYZOWSA-N | | CAS DataBase Reference | 1076-43-3(CAS DataBase Reference) | | EPA Substance Registry System | Benzene-d6 (1076-43-3) |
| | Benzene-D6 Usage And Synthesis |
| 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. | | Uses | Isotope labelled benzene, an organic compound that is a natural constituent of crude oil and one of the most basic petrochemicals. | | Uses | 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. | | 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.] |
| | Benzene-D6 Preparation Products And Raw materials |
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(-)-1,2-BIS((2S,5S)-2,5-DI-I-PROPYLPHOSPHOLANO)BENZENE(1,5-CYCLOOCTADIENE)RHODIUM (I) TETRAFLUOROBORATE
BENZENE (1,3,5-D3)
1,2-BIS(OCTYLOXY)BENZENE
1,2-BIS(CHLOROMETHYL)BENZENE
1,2-BIS(DIMETHYLAMINOPHOSPHINYL)BENZENE
(-)-1,2-BIS((2R,5R)-DIMETHYLPHOSPHOLANO)BENZENE(CYCLOOCTADIENE)RHODIUM(I) BF4
BENZENE-1,2-D2
BENZENE-1,3-D2
BENZENE-13C6,D6
BENZENE-D1
1,2-BIS(DIFLUOROMETHYL)BENZENE
(+)-1,2-BIS[(2S,5S)-2,5-DIETHYLPHOSPHOLANO]BENZENE
(-)-1,2-BIS((2S,5S)-2,5-DIISOPROPYLPHOSPHOLANO)BENZENE,(-)-1,2-BIS((2S,5S)-2,5-DI-I-PROPYLPHOSPHOLANO)BENZENE
BENZENE-1,2,3-D3
BENZENE-1,2,4-D3
BENZENE-1,4-D2
BENZENE-1,2,4,5-D4
BENZENE-D5
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