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| CAS No.: | 14770-51-5 |
|---|---|
| Name: | PROPIONIC-2,2-D2 ACID |
| Article Data: | 12 |
| Molecular Structure: | |
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|
|
| Formula: | C3H3D3O2 |
| Molecular Weight: | 77.0556 |
| Synonyms: | (2-2H2]Propionic acid;Propionic-2,2-d2acid-d (7CI,8CI); |
| Density: | 1.03 g/mL at 25 °C(lit.) |
| Melting Point: | -24- -23 °C(lit.) |
| Boiling Point: | 141.7 °C at 760 mmHg |
| Flash Point: | 57.7 °C |
| Hazard Symbols: |
 C
|
| Risk Codes: | 34 |
| Safety: | 23-36-45 |
| PSA: | 37.30000 |
| LogP: | 0.48100 |
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- Total:6 Page 1 of 1 1
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Specification
The Propanoic-2,2-d2 acid-d(9CI), with the CAS registry number 14770-51-5, belongs to the product categories of Alphabetical Listings; P; Stable Isotopes. This chemical's molecular formula is C3H3D3O2 and molecular weight is 77.097. Its IUPAC name is called (2,2-2H2)propan(2H)oic acid. The product should be sealed and stored in cool, dry place.
Physical properties of Propanoic-2,2-d2 acid-d(9CI): (1)ACD/LogP: 0.25; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 5.3; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 2; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 1; (9)Index of Refraction: 1.397; (10)Molar Refractivity: 17.51 cm3; (11)Molar Volume: 72.6 cm3; (12)Surface Tension: 32.3 dyne/cm; (13)Density: 1.06 g/cm3; (14)Flash Point: 57.7 °C; (15)Enthalpy of Vaporization: 40.08 kJ/mol; (16)Boiling Point: 141.7 °C at 760 mmHg; (17)Vapour Pressure: 4.23 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may destroy living tissue on contact and may cause burns. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: [2H]C([2H])(C(=O)O[2H])C
(2)InChI: InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2/hD
(3)InChIKey: XBDQKXXYIPTUBI-VLZJNYFYET