FORMIC ACID-D2

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