1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid

Base Information

Chemical Name:1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid
CAS No.:38635-85-7
Molecular Formula:C16H7Cl2F3O2
Molecular Weight:359.132
Hs Code.:2916399090
European Community (EC) Number:254-048-4
DSSTox Substance ID:DTXSID40191946
Nikkaji Number:J319.817K
Wikidata:Q83064531
Mol file:38635-85-7.mol

Synonyms:38635-85-7;1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid;EINECS 254-048-4;SCHEMBL8635085;DTXSID40191946;NS00056889

Suppliers and Price of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid

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

Total 3 raw suppliers

Chemical Property of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid

Chemical Property:

Vapor Pressure:2.22E-10mmHg at 25°C
Boiling Point:489.1°Cat760mmHg
Flash Point:249.6°C
PSA：37.30000
Density:1.577g/cm³
LogP:6.01680
XLogP3:6.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:357.9775193
Heavy Atom Count:23
Complexity:471

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC2=C(C=C3C(=CC(=CC3=C2C=C1C(F)(F)F)Cl)Cl)C(=O)O

Technology Process of 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid

There total 4 articles about 1,3-Dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid 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:

: 1735-91-7
2-(2-nitro-4-(trifluoromethyl)phenyl)acetic acid

: 38635-85-7
1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1: K₂CO₃ / acetic anhydride

2: (i) FeSO₄, NaOH, (ii) (diazotization), (iii) Cu

With potassium carbonate; In acetic anhydride;
DOI:10.1021/jm00277a019

Reference yield:

: C₁₆H₉Cl₂F₃NO₂^(1-)*Na⁽¹⁺⁾

: 38635-85-7
1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxylic acid

Guidance literature:: C₁₆H₉Cl₂F₃NO₂^(1-)*Na⁽¹⁺⁾; With hydrogenchloride; isopentyl nitrite; In ethanol; at -5 ℃; for 1h;

With sodium dihydrogenphosphate; sulfuric acid; copper; In water; at 40 ℃; for 2h;
DOI:10.1021/acs.jmedchem.7b00140