Introduction：Basic information about ACETIC ACID-D4 CAS 1186-52-3, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
ACETIC ACID-D4 Basic information
| Product Name: | ACETIC ACID-D4 |
| Synonyms: | ACETIC-D3 ACID-D;ACETIC ACID-D4;ACETIC ACID-D;ACETIC ACID (1,2-12C2; D4);TETRADEUTEROACETIC ACID;Acetic acid-d4;acetic acid 99.5 atom % D;[2H3]acetic [2H]acid |
| CAS: | 1186-52-3 |
| MF: | C2D4O2 |
| MW: | 64.08 |
| EINECS: | 214-693-4 |
| Product Categories: | Biomolecular NMR;NMR - Buffers and Reagents;Buffers and Reagents;Acetic acid-d4;Aldrich High Purity NMR Solvents for Routine NMR;High Throughput NMR;NMR Solvents;NMR Solvents and Reagents;Routine NMR;Solvents for High Throughput NMR;Stable Isotopes;Tubes and Accessories;Labware;NMR;Solvent by Application;Solvents;Spectroscopy Solvents (IR;UV/Vis);A;Alphabetical Listings;Chemical Synthesis;Organic Acids;Synthetic Reagents |
| Mol File: | 1186-52-3.mol |
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ACETIC ACID-D4 Chemical Properties
| Melting point | 16,7°C |
| Melting point | 15-16 °C(lit.) |
| Boiling point | 115.5 °C(lit.) |
| Boiling point | 118°C |
| density | 1.119 g/mL at 25 °C(lit.) |
| density | d = 1,12 |
| vapor density | 2.07 (vs air) |
| vapor pressure | 11.4 mm Hg ( 20 °C) |
| refractive index | n20/D 1.368(lit.) |
| Fp | 104 °F |
| storage temp. | Flammables area |
| solubility | Benzene |
| form | Liquid |
| pka | pK1: 5.32(Sol. D2O) |
| color | Colorless |
| Specific Gravity | 1.12 |
| PH | 2.5 (50g/l, H2O, 25℃) |
| explosive limit | 4-19.9%(V) |
| Water Solubility | Soluble in water, ethanol and ether. |
| Sensitive | Moisture Sensitive |
| BRN | 1748971 |
| Stability: | Stable. Incompatible with acids, bases, oxidizing agents, carbonates and phosphates, hydroxides, metals, oxides, acid anhydrides, peroxides, permanganates, amines, alcohols. Protect from moisture. Flammable. |
| InChI | 1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3/hD |
| InChIKey | QTBSBXVTEAMEQO-GUEYOVJQSA-N |
| SMILES | [2H]OC(=O)C([2H])([2H])[2H] |
| CAS DataBase Reference | 1186-52-3(CAS DataBase Reference) |
Safety Information
| Hazard Codes | C |
| Risk Statements | 10-35 |
| Safety Statements | 23-26-45 |
| RIDADR | UN 2789 8/PG 2 |
| WGK Germany | 3 |
| F | 10 |
| Autoignition Temperature | 800 °F |
| HazardClass | 8 |
| PackingGroup | II |
| HS Code | 28459000 |
| Storage Class | 3 - Flammable liquids |
| Hazard Classifications | Eye Dam. 1
Flam. Liq. 3
Skin Corr. 1A |
ACETIC ACID-D4 Usage And Synthesis
| Chemical Properties | colourless liquid |
| Uses | (Acetic acid-D4) Labelled Acetic Acid is used for analysis and profiling of biological samples resolved through NMR spectroscopy. It helps with the labelling of RNA for high resolution NMR. |
| Uses | Acetic acid-d{4} is used as a deuterated, polar and protic solvent, in food preservatives, PH control agent, flavor enhancer. |
| Uses | Acetic acid-d4 may be used in the synthesis of deuterated (7E,9Z)-CLA (conjugated linoleic acid) and Pr(CD3COO)3.D2O (deuterium analog of praseodymium (III) acetate hydrate). |
| Definition | ChEBI: Acetic acid-d4 is a deuterated compound and a monocarboxylic acid. |
| General Description | Acetic acid-d4 (deuterated acetic acid) is a deuterated NMR solvent containing 0.03% (v/v) TMS (tetramethylsilane). It is useful in NMR-based research and analyses. Its dissociation constant in deuterium oxide has been obtained over a range of temperature by emf method. |
ACETIC ACID-D4 Preparation Products And Raw materials
| Preparation Products | ACETIC ANHYDRIDE-D6-->Cyclobutanecarbonitrile-->SODIUM ACETATE-D3 |
