3-Phenylcoumarin

Base Information

Chemical Name:3-Phenylcoumarin
CAS No.:955-10-2
Molecular Formula:C15H10 O2
Molecular Weight:222.243
Hs Code.:2932209090
European Community (EC) Number:213-473-5
NSC Number:14860
UNII:WV24YNY4AU
DSSTox Substance ID:DTXSID50241860
Nikkaji Number:J80.041D
Wikidata:Q27292893
Metabolomics Workbench ID:74354
ChEMBL ID:CHEMBL510349
Mol file:955-10-2.mol

Synonyms:3-Phenylcoumarin;3-Phenyl-2H-chromen-2-one;955-10-2;3-phenylchromen-2-one;Coumarin, 3-phenyl-;3-phenyl-chromen-2-one;2H-1-Benzopyran-2-one, 3-phenyl-;3-Phenyl-2-benzopyrone;NSC14860;UNII-WV24YNY4AU;WV24YNY4AU;MLS000677581;EINECS 213-473-5;NSC 14860;NSC-14860;SMR000271743;AI3-08084;3-PHENYL-2-CHROMENONE;3-Phenylcumarin;cid_70385;SCHEMBL177366;3-phenyl-1-benzopyran-2-one;CHEMBL510349;3-Phenyl-2H-chromen-2-one #;BDBM96220;DTXSID50241860;HMS2592D13;NKX-2083;MFCD00016963;STK830409;AKOS000277048;NCGC00245655-01;CS-0325623;FT-0740410;10.14272/HWDSXZLYIKESML-UHFFFAOYSA-N;doi:10.14272/HWDSXZLYIKESML-UHFFFAOYSA-N;SR-01000395193;SR-01000395193-1;Q27292893

Suppliers and Price of 3-Phenylcoumarin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
3-Phenyl-2H-chromen-2-one
50mg
$ 45.00

Heterocyclics
3-Phenyl-2H-chromen-2-one 97%
5g
$ 100.00

American Custom Chemicals Corporation
3-PHENYLCOUMARIN 95.00%
1G
$ 552.00

American Custom Chemicals Corporation
3-PHENYLCOUMARIN 95.00%
250MG
$ 460.00

Total 11 raw suppliers

Chemical Property of 3-Phenylcoumarin

Chemical Property:

Vapor Pressure:9.94E-07mmHg at 25°C
Boiling Point:403.8°Cat760mmHg
Flash Point:170.2°C
PSA：30.21000
Density:1.239g/cm³
LogP:3.46000
XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:222.068079557
Heavy Atom Count:17
Complexity:326

Purity/Quality:

98%min ^*data from raw suppliers

3-Phenyl-2H-chromen-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC3=CC=CC=C3OC2=O

Technology Process of 3-Phenylcoumarin

There total 144 articles about 3-Phenylcoumarin 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: 98.0%

: 103-82-2
phenylacetic acid

: 90-02-8
salicylaldehyde

: 955-10-2
3-phenylcumarin

Guidance literature:: With N-[(dichlorophosphinoyloxy)methylene]-N-methylmethanammonium chloride; triethylamine; In dichloromethane; 1.) room temp., 5 min, 2.) 60 deg C, 30 min;
DOI:10.1055/s-1986-31877

Reference yield: 98.0%

: 90-02-8
salicylaldehyde

: 103-80-0
phenylacetyl chloride

: 955-10-2
3-phenylcumarin

Guidance literature:: With tetra(n-butyl)ammonium hydrogensulfate; potassium carbonate; In benzene; for 4h; Ambient temperature;

Reference yield: 96.0%

: 90-02-8
salicylaldehyde

: 30516-21-3
1-(1H-benzo[d][1,2,3]triazol-1-yl)-2-phenylethan-1-one

: 955-10-2
3-phenylcumarin

Guidance literature:: With triethylamine; In neat (no solvent); at 20 ℃; for 0.0833333h; Reagent/catalyst; Sonication;
DOI:10.1021/acscombsci.6b00055