(2H10)Benzophenone

Base Information

• Chemical Name: (2H10)Benzophenone
• CAS No.: 22583-75-1
• Molecular Formula: C13D10 O
• Molecular Weight: 192.142
• European Community (EC) Number: 245-107-5
• DSSTox Substance ID: DTXSID50177110
• Nikkaji Number: J286.253K
• Wikidata: Q83047416
• Mol file: 22583-75-1.mol

Synonyms:Benzophenone-d10;22583-75-1;(2H10)Benzophenone;bis(2,3,4,5,6-pentadeuteriophenyl)methanone;EINECS 245-107-5;decadeuterobenzophenone;Methanone, di(phenyl-d5)-;METHANONE,DI(PHENYL-2,3,4,5,6-D5)-;SCHEMBL16559394;HY-Y0546S;C13D10O;DTXSID50177110;Benzophenone-d10, 99 atom % D;C13-D10-O;CS-C-00287;bis[(2,3,4,5,6-?H?)phenyl]methanone;CS-0226295;D98471;J-014772

Chemical Property of (2H10)Benzophenone

Chemical Property:

• Appearance/Colour: solid
• Vapor Pressure: 0.000823mmHg at 25°C
• Melting Point: 47-51 °C(lit.)
• Refractive Index: 1.583
• Boiling Point: 305.4 °C at 760 mmHg
• Flash Point: 123.7 °C
• PSA: 17.07000
• Density: 1.147 g/cm³
• LogP: 2.91760
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 192.135932398
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Benzophenone-d10 ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2
• Isomeric SMILES: [2H]C1=C(C(=C(C(=C1[2H])[2H])C(=O)C2=C(C(=C(C(=C2[2H])[2H])[2H])[2H])[2H])[2H])[2H]

Technology Process of (2H10)Benzophenone

There total 12 articles about (2H10)Benzophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 99.0%

benzophenone (119-61-9) → (2H10)benzophenone (22583-75-1)

Guidance literature:

With 10% Pt/activated carbon; water-d2; In cyclohexane; isopropyl alcohol; at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1002/adsc.201201102

Reference yield: 95.0%

oxalyl dichloride (79-37-8) + benzene-d6 (1076-43-3) → (2H10)benzophenone (22583-75-1)

Guidance literature:

With aluminum (III) chloride; at 0 - 80 ℃; for 12h;

DOI:10.1002/chem.201304923

Reference yield: 89.0%

carbon disulfide (75-15-0,12122-00-8) + benzene-d6 (1076-43-3) → (2H10)benzophenone (22583-75-1)

Guidance literature:

With hydrogenchloride; aluminum (III) chloride; oxalyl dichloride; at 60 ℃; for 2h;

DOI:10.1002/anie.202007230

upstream raw materials:

tetrachloromethane

benzene-d6

benzophenone

benzophenone

Downstream raw materials:

C₁₇H₆⁽²⁾H₁₀O₂

tetraphenylethylene-d20

tetrakis(4-carboxyphenyl)ethylene-d16

o-dibenzoylbenzene

Refernces

• 1、 Cizmeciyan, Deniz,Sonnichsen, Laura B.,Garcia-Garibay, Miguel A.. "Proximity, photochemical reactivity, and intermolecular 1H-13C cross polarization in benzophenone-d10 and cyclohexane in the zeolite NaX". . p. 184 - 188. Retrieved 1997.
• 2、 Hu, Jiantao,Xu, Huacheng,Nie, Pengju,Xie, Xiaobo,Nie, Zongxiu,Rao, Yu. "Synthesis of indazoles and azaindazoles by intramolecular aerobic oxidative C-N coupling under transition-metal-free conditions". supporting information. p. 3932 - 3938. Retrieved 2014/04/17.