CAS No.1112-02-3,ACETIC-2,2,2-D3 ACID Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	1112-02-3
Name:	ACETIC-2,2,2-D3 ACID
Article Data:	6

Formula:	C₂HD₃O₂
Molecular Weight:	63.0287
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;
Density:	1.122 g/cm³
Melting Point:	16.2 °C(lit.)
Boiling Point:	117.1 °C at 760 mmHg
Flash Point:	40 °C
Appearance:	Colorless liquid
Hazard Symbols:	C
Risk Codes:	10-35
Safety:	16-26-36/37/39-45
Transport Information:	UN 2789
PSA:	37.30000
LogP:	0.09090

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Specification

The Acetic-d₃acid, 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