Bis(3-(trifluoromethyl)phenyl)methanol

Base Information

• Chemical Name: Bis(3-(trifluoromethyl)phenyl)methanol
• CAS No.: 1598-89-6
• Molecular Formula: C15H10 F6 O
• Molecular Weight: 320.234
• Hs Code.: 2906299090
• European Community (EC) Number: 642-755-4
• DSSTox Substance ID: DTXSID90371135
• Nikkaji Number: J1.461.857K
• Wikidata: Q82158392
• Mol file: 1598-89-6.mol

Synonyms:1598-89-6;Bis(3-(trifluoromethyl)phenyl)methanol;3,3'-Bis(trifluoromethyl)benzhydrol;bis[3-(trifluoromethyl)phenyl]methanol;3,3'-di(trifluoromethyl)benzhydrol;3,3/'-BIS(TRIFLUOROMETHYL)BENZHYDROL;imolaminehydrochloride;3,3'-bis-(Trifluoromethyl)benzhydrol;SCHEMBL4135956;DTXSID90371135;MFCD00039228;AKOS005257536;CCG-251185;PS-11009;CS-0324260;FT-0633693;A810084

Chemical Property of Bis(3-(trifluoromethyl)phenyl)methanol

Chemical Property:

• Vapor Pressure: 0.000331mmHg at 25°C
• Melting Point: 48.0-49.5 °C(Solv: ligroine (8032-32-4))
• Refractive Index: 1.484
• Boiling Point: 306.7°Cat760mmHg
• PKA: 13.17±0.20(Predicted)
• Flash Point: 139.3°C
• PSA: 20.23000
• Density: 1.367g/cm³
• LogP: 4.80590
• Storage Temp.: 2-8°C
• XLogP3: 4.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 320.06358391
• Heavy Atom Count: 22
• Complexity: 330

Purity/Quality:

97% ^*data from raw suppliers

3,3'-Bis(trifluoromethyl)benzhydrol 97% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)C(F)(F)F)C(C2=CC(=CC=C2)C(F)(F)F)O

Technology Process of Bis(3-(trifluoromethyl)phenyl)methanol

There total 7 articles about Bis(3-(trifluoromethyl)phenyl)methanol 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%

3,3'-bis(trifluoromethyl)benzophenone (1868-00-4) → 3,3'-bis(trifluoromethyl)benzhydrol (1598-89-6)

Guidance literature:

With methanol; sodium tetrahydroborate; at 0 - 20 ℃;

Reference yield: 61.0%

3-bromo-1-trifluoromethylbenzene (401-78-5) + formic acid ethyl ester (109-94-4) → 3,3'-bis(trifluoromethyl)benzhydrol (1598-89-6)

Guidance literature:

With magnesium; In diethyl ether; for 18h; Heating;

DOI:10.1021/ja00310a037

Reference yield:

3-bromo-1-trifluoromethylbenzene (401-78-5) + 3-Trifluoromethylbenzaldehyde (454-89-7) → 3,3'-bis(trifluoromethyl)benzhydrol (1598-89-6)

Guidance literature:

3-bromo-1-trifluoromethylbenzene; With n-butyllithium; In diethyl ether; at -78 ℃; for 1h;

3-Trifluoromethylbenzaldehyde; In diethyl ether; at 20 ℃; for 2.5h;

DOI:10.1021/jo051599u

upstream raw materials:

3,3'-bis(trifluoromethyl)benzophenone

3-(trifluoromethyl)phenylmagnesium bromide

formic acid ethyl ester

3-bromo-1-trifluoromethylbenzene

Downstream raw materials:

3,3'-bis(trifluoromethyl)benzophenone

chlorobis(3-(trifluoromethyl)phenyl)methane

α-ethenyl-α-[(3-(trifluoromethyl)phenyl)]-3'-(trifluoromethyl)benzenemethanol

3,3'-bis(trifluoromethyl)diphenylmethane