Welcome to LookChem.com Sign In|Join Free
  • or
Home > Products >  > 

Ethanone-2,2,2-d3, 1-phenyl-

Related Products

Hot Products

Name

Ethanone-2,2,2-d3, 1-phenyl-

EINECS 241-659-6
CAS No. 17537-31-4 Density 1.018 g/cm3
PSA 17.07000 LogP 1.88920
Solubility N/A Melting Point 19-20 °C(lit.)
Formula C8H5D3O Boiling Point 202 °C at 760 mmHg
Molecular Weight 123.127 Flash Point 80.9 °C
Transport Information N/A Appearance N/A
Safety 26 Risk Codes 22-36
Molecular Structure Molecular Structure of 17537-31-4 (ACETO-D3-PHENONE) Hazard Symbols HarmfulXn
Synonyms

Acetophenone-2,2,2-d3 (7CI,8CI);Aceto-d3-phenone;Acetophenone-a,a,a-d3;

Article Data 81

Ethanone-2,2,2-d3, 1-phenyl- Specification

The Ethanone-2,2,2-d3, 1-phenyl- is an organic compound with the formula C8H5D3O. The IUPAC name of this chemical is 2,2,2-trideuterio-1-phenylethanone. With the CAS registry number 17537-31-4, it is also named as 1-Phenyl(2H3)ethanone. Besides, it should be stored in a closed cool and dry place.

Physical properties about Ethanone-2,2,2-d3, 1-phenyl- are: (1)ACD/LogP: 1.67; (2)ACD/LogD (pH 5.5): 1.66; (3)ACD/LogD (pH 7.4): 1.66; (4)ACD/BCF (pH 5.5): 10.85; (5)ACD/BCF (pH 7.4): 10.85; (6)ACD/KOC (pH 5.5): 191.75; (7)ACD/KOC (pH 7.4): 191.75; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 17.07 Å2; (11)Index of Refraction: 1.511; (12)Molar Refractivity: 36.28 cm3; (13)Molar Volume: 120.9 cm3; (14)Polarizability: 14.38×10-24cm3; (15)Surface Tension: 34.1 dyne/cm; (16)Density: 1.018 g/cm3; (17)Flash Point: 80.9 °C; (18)Enthalpy of Vaporization: 43.82 kJ/mol; (19)Boiling Point: 202 °C at 760 mmHg; (20)Vapour Pressure: 0.299 mmHg at 25°C.

Preparation of Ethanone-2,2,2-d3, 1-phenyl-: this chemical can be prepared by 1-phenyl-ethanone. This reaction will need reagents NaOH, deuterium oxide and solvent dioxane. The reaction time is 24 hours at ambient temperature.

Ethanone-2,2,2-d3, 1-phenyl- can be prepared by 1-phenyl-ethanone

Uses of Ethanone-2,2,2-d3, 1-phenyl-: it can be used to produce pentadeuterioethyl-benzene. It will need reagents lithium tetradeuterioalanate, thionyl chloride.

Ethanone-2,2,2-d3, 1-phenyl- can be used to produce pentadeuterioethyl-benzene

When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. Besides, this chemical is irritating to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccccc1)C([2H])([2H])[2H]
(2)InChI: InChI=1/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3
(3)InChIKey: KWOLFJPFCHCOCG-FIBGUPNXEQ
(4)Std. InChI: InChI=1S/C8H8O/c1-7(9)8-5-3-2-4-6-8/h2-6H,1H3/i1D3
(5)Std. InChIKey: KWOLFJPFCHCOCG-FIBGUPNXSA-N

Post a RFQ

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

1

What can I do for you?
Get Best Price

Get Best Price for 17537-31-4