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Pyridine-D5

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Name

Pyridine-D5

EINECS 230-720-2
CAS No. 7291-22-7 Density 1.017 g/cm3
PSA 12.89000 LogP 1.08160
Solubility Soluble in water, alcohol, ether, acetone, and benzene. Melting Point -44 deg C
Formula C5D5 N Boiling Point 115.3 °C at 760 mmHg
Molecular Weight 84.0617 Flash Point 20 °C
Transport Information UN1282 Appearance clear colorless liquid
Safety 26-28-36/37-24/25-23-53 Risk Codes 11-20/21/22-63-43-36/37/38-23/24/25-45
Molecular Structure Molecular Structure of 7291-22-7 (PYRIDINE-D5) Hazard Symbols FlammableF,HarmfulXn,ToxicT
Synonyms

Pyridine-d5(6CI,7CI,8CI,9CI);Pentadeuteropyridine;Perdeuteriopyridine;

Article Data 16

Pyridine-D5 Specification

This chemical is called Pyridine-D5, and its systematic name is (2H5)pyridine. With the molecular formula of C5D5N, its molecular weight is 84.13. The CAS registry number of this chemical is 7291-22-7. Additionally, this chemical is clear colorless liquid.

Other characteristics of the Pyridine-D5 can be summarised as followings: (1)ACD/LogP: 0.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.54; (4)ACD/LogD (pH 7.4): 0.72; (5)ACD/BCF (pH 5.5): 1.37; (6)ACD/BCF (pH 7.4): 2.08; (7)ACD/KOC (pH 5.5): 38.58; (8)ACD/KOC (pH 7.4): 58.76; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.89 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 24.34 cm3; (15)Molar Volume: 82.6 cm3; (16)Polarizability: 9.65×10-24cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 1.017 g/cm3; (19)Flash Point: 20 °C; (20)Enthalpy of Vaporization: 35.09 kJ/mol; (21)Boiling Point: 115.3 °C at 760 mmHg; (22)Vapour Pressure: 22.8 mmHg at 25°C.

Uses of this chemical: The C10H9(2)H5N(1+)*Br(1-) could be obtained by the reactants of Pyridine-D5 and 1-bromo-3-methyl-but-2-ene. This reaction needs the solvent of diethyl ether. The yield is 70 %. This reaction should be taken for 12 hours at the temperature of 25 °C.

When you are using this chemical, please be cautious about it as the following: This chemical is highly flammable. It's harmful and toxic by inhalation, in contact with skin and if swallowed. It's possible risk of harm to the unborn child. It may cause cancer. Avoid contacting with skin and eyes. Do not breathe vapour. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.   

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]c1c([2H])c([2H])nc([2H])c1[2H]
2.InChI: InChI=1/C5H5N/c1-2-4-6-5-3-1/h1-5H/i1D,2D,3D,4D,5D
3.InChIKey: JUJWROOIHBZHMG-RALIUCGREV

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