ACETONITRILE-D3
- CAS No.
- 2206-26-0
- Chemical Name:
- ACETONITRILE-D3
- Synonyms
- CD3CN;[D3]acetonitrile;DEUTERATED ACETONITRILE;TRIDEUTEROACETONITRILE;ACETONITRILE-D3, ISOTOPIC PURITY 99%;ACETONITRILE-D3;Acetonitrile-d?;[2H3]acetonitrile;Methyl-d3 cyanide;Acetonitrile-d3(TMS)
- CBNumber:
- CB6289320
- Molecular Formula:
- C2D3N
- Molecular Weight:
- 44.07
- MDL Number:
- MFCD00001881
- MOL File:
- 2206-26-0.mol
- MSDS File:
- SDS
- TDS File:
- TDS
| Melting point | -46 °C |
|---|---|
| Melting point | -45°C |
| Boiling point | 81,6°C |
| Boiling point | 80.7 °C(lit.) |
| Density | 0.844 g/mL at 25 °C(lit.) |
| Density | d = 0,84 |
| vapor pressure | 97 hPa (20 °C) |
| refractive index |
n |
| Flash point | 42 °F |
| storage temp. | Store below +30°C. |
| solubility | soluble in Most Organic Solvents |
| form | Liquid In Prescored Ampoules, (0.75Ml/ampoule) |
| Specific Gravity | 0.844 |
| color | Colorless |
| Solvent Residual Peak |
1H NMR：1.94 ppm (quint) 13C NMR：118.26±0.02 ppm(CN, s), 1.32±0.02 ppm(CH₃, sept) |
| explosive limit | 3.0-16%(V) |
| Water Solubility | Miscible with water, ethanol, diethyl ether, acetone, benzene, methanol, methyl acetate, ethyl acetate, acetamide solutions, chloroform, carbon tetrachloride, ethylene chloride and unsaturated hydrocarbons. Immiscible with saturated hydrocarbons. |
| Sensitive | Hygroscopic |
| Merck | 14,70 |
| BRN | 1740230 |
| Exposure limits | NIOSH: IDLH 25 mg/m3 |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids. |
| InChI | 1S/C2H3N/c1-2-3/h1H3/i1D3 |
| InChIKey | WEVYAHXRMPXWCK-FIBGUPNXSA-N |
| SMILES | [2H]C([2H])([2H])C#N |
| CAS DataBase Reference | 2206-26-0(CAS DataBase Reference) |
| UNSPSC Code | 12142201 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS06 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H225-H302+H312-H319-H331 | |||||||||
| Precautionary statements | P210-P280-P301+P312-P303+P361+P353-P304+P340+P311-P305+P351+P338 | |||||||||
| Hazard Codes | T,F,Xn | |||||||||
| Risk Statements | 11-20/21/22-36-36/37/38-23/24/25-10 | |||||||||
| Safety Statements | 16-36/37-45-27-26 | |||||||||
| RIDADR | UN 1993 3/PG 3 | |||||||||
| WGK Germany | 3 | |||||||||
| F | 10 | |||||||||
| Autoignition Temperature | 525 °C | |||||||||
| HS Code | 2845 90 10 | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Acute Tox. 4 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Eye Irrit. 2 Flam. Liq. 2 |
|||||||||
| Toxicity | LD50 orally in Rabbit: 2730 - 3800 mg/kg LD50 dermal Rabbit 988 mg/kg | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704 |
|
ACETONITRILE-D3 price More Price(69)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 151807 | Acetonitrile-d3 ≥99.8 atom % D | 2206-26-0 | 10x0.6ml | $74.5 | 2026-04-30 | Buy |
| Sigma-Aldrich | 151807 | Acetonitrile-d3 ≥99.8 atom % D | 2206-26-0 | 10x0.75ml | $87.2 | 2026-04-30 | Buy |
| Sigma-Aldrich | 151807 | Acetonitrile-d3 ≥99.8 atom % D | 2206-26-0 | 10G | $119 | 2026-04-30 | Buy |
| Sigma-Aldrich | 1.02904 | Acetonitrile-d3 deuteration degree min. 99% for NMR spectroscopy MagniSolv? | 2206-26-0 | 10ml | $117 | 2026-04-30 | Buy |
| TCI Chemical | A2018 | Acetonitrile-d3 99.8atom%D min. 99.0 % | 2206-26-0 | 10ML | $78 | 2026-04-30 | Buy |
ACETONITRILE-D3 Chemical Properties, Uses, Production
Synthesis
In a glove box, the tridentate complex of manganese catalyst (0.005 mmol, 1 mol%) was added to a 100 mL Schlenk tube equipped with a stir bar. Acetonitrile (0.5 mmol, 1.0 equivalent) was then added to the reaction tube using a glass pipette, followed by degassed toluene (0.5 mL) using the same pipette. The solution was stirred at room temperature for 10 minutes, and then degassed D₂O (0.5 mL) was added. The Schlenk tube was removed from the glove box, and the reaction mixture was stirred at 110°C (oil bath) for 24 hours. After the reaction was complete, ethyl acetate was added to the reaction system, and the reaction mixture was extracted with ethyl acetate. The organic layer was separated, and the ethyl acetate solution was dried over anhydrous sodium sulfate. The anhydrous sodium sulfate solid was removed by filtration. The filtrate was then purified by vacuum to remove the solvent (it should be noted that deuterated acetonitrile has a low boiling point, and special attention should be paid to the vacuum level and evaporation temperature during vacuum concentration) to obtain the target product molecule, deuterated acetonitrile.
Figure: Synthetic Route of ACETONITRILE-D3
Chemical Properties
colourless liquid
Uses
Isotope labeled Acetonitrile is used as a polar aprotic solvent in organic synthesis. Acetonitrile-d3 is used as IR and NMR solvent. Probe for zeolite acidity. Cartridge eluent in HPLC- SPE (solid-phase extraction)-NMR technique.
Definition
ChEBI: Acetonitrile-d3 is a deuterated compound.
General Description
Acetonitrile-d3 (Trideuteroacetonitrile, CD3CN) is a deuterated NMR (Nuclear Magnetic Resonance) solvent. Molecular rotational friction coefficient and magnetic relaxation times (T1) for 14N and 2D of CD3CN have been determined. It participates as solvent during the synthesis of 2-phenylindole. It serves as solvent for 1H NMR (Proton Nuclear Magnetic Resonance) and 13C NMR (Carbon-13 Nuclear Magnetic Resonance) spectral studies.
ACETONITRILE-D3 Preparation Products And Raw materials
| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Ningbo cuiying chemical technology co. LTD | 0574-88162057 18957423231 | 2317559463@qq.com | China | 323 | 58 |
| Qingdao Tenglong microwave technology co., LTD. | 0532-83818797 17669478191 | sc@tlwb.com.cn | China | 3933 | 58 |
| Reer Technology (Shanghai) Co., LTD | 021-64400900 15800436310 | bessey@reertech.com | China | 4097 | 58 |
| Shanghai Jizhi Biochemical Technology Co. Ltd. | 021-4009004166/18616739031 18616739031 | 3007523370@qq.com | China | 40000 | 58 |
| J & K SCIENTIFIC LTD. | 18210857532 18210857532 | jkinfo@jkchemical.com | China | 96815 | 76 |
| Meryer (Shanghai) Chemical Technology Co., Ltd. | 4006356688 18621169109 | market03@meryer.com | China | 40202 | 62 |
| Alfa Aesar | 400-6106006 | saleschina@alfa-asia.com | China | 30103 | 84 |
| Beijing HwrkChemical Technology Co., Ltd | 89508211 18501085097 | sales.bj@hwrkchemical.com | China | 9407 | 55 |
| JinYan Chemicals(ShangHai) Co.,Ltd. | 13817811078 | sales@jingyan-chemical.com | China | 9963 | 60 |
| Shanghai Hanhong Scientific Co.,Ltd. | 021-54306202 13764082696 | info@hanhongsci.com | China | 42917 | 64 |
View Latest Price from ACETONITRILE-D3 manufacturers
| Image | Update time | Product | Price | Min. Order | Purity | Supply Ability | Manufacturer | |
|---|---|---|---|---|---|---|---|---|
 |
2026-09-02 | ACETONITRILE-D3
2206-26-0
|
$1.00-100.00 | 1KG | 99% | Henan Fengda Chemical Co., Ltd | ||
 |
2019-07-06 | ACETONITRILE-D3
2206-26-0
|
$2.00 | 1kg | 99% | Career Henan Chemical Co |
-
- ACETONITRILE-D3
2206-26-0
- $1.00-100.00
- 99%
- Henan Fengda Chemical Co., Ltd
-
- ACETONITRILE-D3
2206-26-0
- $2.00
- 99%
- Career Henan Chemical Co
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