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| CAS No.: | 920-42-3 |
|---|---|
| Name: | FORMIC ACID-D2 |
| Molecular Structure: | |
|
|
|
| Formula: | CD2O2 |
| Molecular Weight: | 48.0098 |
| Synonyms: | Formicacid-d2; |
| EINECS: | 213-057-3 |
| Density: | 1.205 g/cm3 |
| Melting Point: | 8.2-8.4 °C(lit.) |
| Boiling Point: | 100.6 °C at 760 mmHg |
| Flash Point: | 29.9 °C |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 C
|
| Risk Codes: | 10-20/21/22-34 |
| Safety: | 16-23-26-36/37/39-45 |
| Transport Information: | UN 1779 8/PG 2 |
| PSA: | 37.30000 |
| LogP: | 0.33670 |
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- Total:23 Page 1 of 1 1
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Specification
The Formic-d acid-d, with the CAS registry number 920-42-3 and EINECS registry number 213-057-3, has the systematic name of (2H2)formic acid. It is a kind of clear colorless liquid, and belongs to the following product categories: Alphabetical Listings; Biomolecular NMR; Buffers and ReagentsStable Isotopes; E-FStable Isotopes; NMR - Buffers and Reagents; NMR Solvents and Reagents; Stable Isotopes. And the molecular formula of the chemical is CD2O2. What's more, it should be stored at 0-6°C.
The characteristics of Formic-d acid-d are as followings: (1)ACD/LogP: -0.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.3; (4)ACD/LogD (pH 7.4): -3.94; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.342; (14)Molar Refractivity: 8.4 cm3; (15)Molar Volume: 39.8 cm3; (16)Polarizability: 3.33×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 1.205 g/cm3; (19)Flash Point: 29.9 °C; (20)Enthalpy of Vaporization: 22.69 kJ/mol; (21)Boiling Point: 100.6 °C at 760 mmHg; (22)Vapour Pressure: 36.5 mmHg at 25°C.
Uses of Formic-d acid-d: It can react with 5-Amino-1-benzyl-1H-imidazole-4-carboxamidine Hydrochloride to produce 9-benzyladenine-2-d. The reaction time is 16 hours with temperature of 70-75°C, and the yield is about 56%.
You should be cautious while dealing with this chemical. It is a kind of flammable chemical which is harmful by inhalation, in contact with skin and if swallowed, and it may cause burns. Therefore, you had better take the following instructions: Keep away from sources of ignition - No smoking; Wear suitable protective clothing, gloves and eye/face protection; In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice; Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); In case of accident or if you feel unwell, seek medical advice immediately (show label where possible).
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: [2H]C(=O)O[2H]
(2)InChI: InChI=1/CH2O2/c2-1-3/h1H,(H,2,3)/i1D/hD
(3)InChIKey: BDAGIHXWWSANSR-PFUFQJKNEK