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Acetic-d3 acid

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Name

Acetic-d3 acid

EINECS N/A
CAS No. 1112-02-3 Density 1.122 g/cm3
PSA 37.30000 LogP 0.09090
Solubility N/A Melting Point 16.2 °C(lit.)
Formula C2HD3O2 Boiling Point 117.1 °C at 760 mmHg
Molecular Weight 63.0287 Flash Point 40 °C
Transport Information UN 2789 Appearance Colorless liquid
Safety 16-26-36/37/39-45 Risk Codes 10-35
Molecular Structure Molecular Structure of 1112-02-3 (ACETIC-2,2,2-D3 ACID) Hazard Symbols CorrosiveC
Synonyms

2,2,2-Trideuterioaceticacid;Acetic acid-2,2,2-d3;Acetic-d3 acid(6CI,7CI,8CI,9CI);Trideuterioacetic acid;Acetic acid-C,C,C-d3;

Article Data 6

Acetic-d3 acid Specification

The Acetic-dacid, with the CAS registry number 1112-02-3, is also known as Acetic acid-2,2,2-d3. It belongs to the product categories of AChemical Synthesis; Alphabetical Listings; Metabolic Research; Organic AcidsStable Isotopes; Other; Stable Isotopes; Synthetic Reagents. This chemical's molecular formula is C2HD3O2 and molecular weight is 63.07. What's more, its IUPAC name is 2,2,2-trideuterioacetic acid. It is stable at common pressure and temperature, and it should be sealed and stored in a cool, ventilated and dry place. What's more, it should be protected from light.

Physical properties of Acetic-d3 acid are: (1)ACD/LogP: -0.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.07; (4)ACD/LogD (pH 7.4): -2.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 2.73; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 0; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.375; (13)Molar Refractivity: 12.87 cm3; (14)Molar Volume: 56.1 cm3; (15)Surface Tension: 31.9 dyne/cm; (16)Density: 1.122 g/cm3; (17)Flash Point: 40 °C; (18)Enthalpy of Vaporization: 23.7 kJ/mol; (19)Boiling Point: 117.1 °C at 760 mmHg; (20)Vapour Pressure: 13.9 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is flammable, so you should keep it away from sources of ignition - No smoking. It can cause severe burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)O
(2)Isomeric SMILES: [2H]C([2H])([2H])C(=O)O
(3)InChI: InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/i1D3
(4)InChIKey: QTBSBXVTEAMEQO-FIBGUPNXSA-N

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