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35845-63-7

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Basic Information
CAS No.: 35845-63-7
Name: 2-PHENYL-D5-ETHANOL
Article Data: 4
Molecular Structure:
Molecular Structure of 35845-63-7 (2-PHENYL-D5-ETHANOL)
Formula: C8H5D5O
Molecular Weight: 127.127
Synonyms: 2-(Pentadeuterophenyl)ethanol;
Density: 1.062 g/cm3
Boiling Point: 218.199 °C at 760 mmHg
Flash Point: 98.432 °C
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Specification

This chemical is called 2-Phenyl-d5-ethanol, and its systematic name is 2-(2H5)Phenylethanol. With the molecular formula of C8H5D5O, its molecular weight is 127.20. The CAS registry number of this chemical is 35845-63-7.

Other characteristics of the 2-Phenyl-d5-ethanol can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 20.23 Å2; (7)Index of Refraction: 1.536; (8)Molar Refractivity: 37.337 cm3; (9)Molar Volume: 119.757 cm3; (10)Polarizability: 14.802×10-24cm3; (11)Surface Tension: 39.698 dyne/cm; (12)Density: 1.062 g/cm3; (13)Flash Point: 98.432 °C; (14)Enthalpy of Vaporization: 48.05 kJ/mol; (15)Boiling Point: 218.199 °C at 760 mmHg; (16)Vapour Pressure: 0.074 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: [2H]c1c(c([2H])c([2H])c([2H])c1[2H])CCO
2.InChI: InChI=1/C8H10O/c9-7-6-8-4-2-1-3-5-8/h1-5,9H,6-7H2/i1D,2D,3D,4D,5D
3.InChIKey: WRMNZCZEMHIOCP-RALIUCGREK