Benzene-D6
ALDRICH/175870 - "100%", 99.96 atom % D
Synonym: Hexadeuterobenzene
CAS Number: 1076-43-3
Empirical Formula (Hill Notation): C6D6
Molecular Weight: 84.15
EC Number: 214-061-8
MDL Number: MFCD00003010
Linear Formula: C6D6
Product Type: Chemical
| assay | ≥99% (CP) |
| bp | 79.1 °C/760 mmHg (lit.) |
| density | 0.950 g/mL at 25 °C (lit.) |
| expl. lim. | 0.34-6.3 % (lit.) |
| form | liquid |
| impurities | ≤0.0100% water water |
| InChI | 1S/C6H6/c1-2-4-6-5-3-1/h1 |
| InChI key | UHOVQNZJYSORNB-MZWXYZOWSA |
| isotopic purity | 99.96 atom % D |
| mass shift | M+6 |
| mp | 6.8 °C (lit.) |
| Quality Level | 100  |
| refractive index | n |
| SMILES string | [2H]c1c([2H])c([2H])c([2H |
| technique(s) | NMR: suitable |
| Application: | Benzene-d6 may be used as a 1H and 13C-NMR solvent. It may also be used for the synthesis of isotopically labeled samples and for the internal calibration of benzene stock solution during headspace-solid-phase microextraction. |
| General description: | Benzene-d6 (C6D6) is a deuterated derivative of benzene. It is 100% isotopically enriched NMR (Nuclear Magnetic Resonance) solvent. It is widely employed in high resolution NMR studies due to its high chemical and isotopic purity. Its Soret coefficient S(T) has been measured by the transient holographic grating technique. Its first resonance Raman spectrum and infrared absorption intensities (in the range of 5000-450cm-1) have been reported. It participates in the synthesis of isotopically labeled samples. |
| Packaging: | 10×0.5, 10×0.8, 10×1 mL in ampule |
| Packaging: | 25 g in glass bottle |
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| Symbol |    GHS02,GHS07,GHS08 |
| Signal word | Danger |
| Hazard statements | H225 - H304 - H315 - H319 - H340 - H350 - H372 - H412 |
| Precautionary statements | P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331 |
| Hazard Codes | F,T |
| Risk Statements | 45-46-11-36/38-48/23/24/25-65 |
| Safety Statements | 53-45 |
| RIDADR | UN1114 - class 3 - PG 2 - Benzene |
| WGK Germany | WGK 3 |
| Flash Point(F) | 12.2 °F - closed cup |
| Flash Point(C) | -11 °C - closed cup |
| Purity | ≥99% (CP) |
| bp | 79.1 °C/760 mmHg (lit.) |
| mp | 6.8 °C (lit.) |
| Density | 0.950 g/mL at 25 °C (lit.) |
| Refractive Index | n |
| UNSPSC | 12142201 |