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| CAS No.: | 19136-91-5 |
|---|---|
| Name: | PROPIONIC-2,2-D2 ACID |
| Article Data: | 8 |
| Molecular Structure: | |
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|
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| Formula: | C3H4D2O2 |
| Molecular Weight: | 76.0636 |
| Synonyms: | Propionic-2,2-d2acid (7CI,8CI);a-Dideuteropropanolicacid; |
| Density: | 1.046 g/cm3 |
| 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 |
| Transport Information: | UN 3463 |
| PSA: | 37.30000 |
| LogP: | 0.48100 |
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Specification
This chemical is called Propanoic-2,2-d2 acid, and its systematic name is 2,2-dideuteriopropanoic acid. With the molecular formula of C3H4D2O2, its molecular weight is 76.09. The CAS registry number of this chemical is 19136-91-5.
Other characteristics of the Propanoic-2,2-d2 acid can be summarised as followings: (1)ACD/LogP: 0.25; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.3 Å2; (7)Index of Refraction: 1.397; (8)Molar Refractivity: 17.51 cm3; (9)Molar Volume: 72.6 cm3; (10)Polarizability: 6.94×10-24cm3; (11)Surface Tension: 32.3 dyne/cm; (12)Density: 1.046 g/cm3; (13)Flash Point: 57.7 °C; (14)Enthalpy of Vaporization: 40.08 kJ/mol; (15)Boiling Point: 141.7 °C at 760 mmHg; (16)Vapour Pressure: 4.23 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following: This chemical causes burns. Do not breathe vapour. Wear suitable protective clothing. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).
You can still convert the following datas into molecular structure:
1.SMILES: CC([2H])([2H])C(O)=O
2.InChI: InChI=1/C3H6O2/c1-2-3(4)5/h2H2,1H3,(H,4,5)/i2D2
3.InChIKey: XBDQKXXYIPTUBI-CBTSVUPCER