1.01766

Benzene-D6

deuteration degree min. 99.95% for NMR spectroscopy MagniSolv^™

• Synonym(s): Benzene-D6, Hexadeuterobenzene
• Empirical Formula (Hill Notation): C₆D₆
• CAS Number: 1076-43-3
• Molecular Weight: 84.15
• MDL number: MFCD00003010
• UNSPSC Code: 12142201
• EC Index Number: 214-061-8
• NACRES: NA.22

Properties

• vapor pressure: 101 hPa ( 20 °C)
• Quality Level: 200
• isotopic purity: ≥99.95 atom % D
• form: liquid
• autoignition temp.: 555 °C
• potency: 930 mg/kg LD₅₀, oral (Rat); >8260 mg/kg LD₅₀, skin (Rabbit)
• expl. lim.: 1.4-8.0 % (v/v)
• technique(s): NMR: suitable
• impurities: ≤0.005% Water (HO)
• kinematic viscosity: 0.78 cSt(20 °C)
• bp: 79 °C/1013 hPa
• mp: 6.7 °C
• transition temp: flash point -11 °C
• density: 0.95 g/cm³ at 20 °C
• storage temp.: no temp limit
• SMILES string: c1(c(c(c(c(c1[2H])[2H])[2H])[2H])[2H])[2H]
• InChI: 1S/C6H6/c1-2-4-6-5-3-1/h1-6H/i1D,2D,3D,4D,5D,6D
• InChI key: UHOVQNZJYSORNB-MZWXYZOWSA-N

Description

General description

A wide range of MagniSolv deuterated solvents with extremely low residual water, excellent chemical purity, and the highest isotopic enrichment available can satisfy the most demanding requirements of researchers. Depending on application and sensitivity of the NMR spectrometer our offer solvents with deuteration degrees between 98% and 99.96%. In case of all the water soluble deuterated standard products, water content is specified according to both Karl Fischer and NMR.

Analysis Note

Deuteration degree: ≥ 99.95 %
Water (NMR, HO): ≤ 0.005 %
Performance test (NMR-spectrum): passes test

Recommended products

Check out ChemisTwin®, our brand new online portal for identity confirmation and quantification of NMR spectra. Learn more or reach out to us for a free trial.

Legal Information

MAGNISOLV is a trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• pictograms: GHS02,GHS07,GHS08
• signalword: Danger
• hcodes: H225 - H304 - H315 - H319 - H340 - H350 - H372 - H412
• pcodes: P210 - P273 - P301 + P310 - P303 + P361 + P353 - P305 + P351 + P338 - P331
• Hazard Classifications: Aquatic Chronic 3 - Asp. Tox. 1 - Carc. 1A - Eye Irrit. 2 - Flam. Liq. 2 - Muta. 1B - Skin Irrit. 2 - STOT RE 1
• target_organs: Blood
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 12.2 °F - closed cup
• flash_point_c: -11 °C - closed cup