2-Bromo-4-(trifluoromethyl)benzyl alcohol

Base Information

• Chemical Name: 2-Bromo-4-(trifluoromethyl)benzyl alcohol
• CAS No.: 497959-33-8
• Molecular Formula: C8H6BrF3O
• Molecular Weight: 255.034
• Hs Code.: 2906299090
• DSSTox Substance ID: DTXSID90381370
• Wikidata: Q82172162
• Mol file: 497959-33-8.mol

Synonyms:2-Bromo-4-(trifluoromethyl)benzyl alcohol;497959-33-8;[2-bromo-4-(trifluoromethyl)phenyl]methanol;2-Bromo-4-(trifluoromethyl)benzylalcohol;(2-BROMO-4-(TRIFLUOROMETHYL)PHENYL)METHANOL;SCHEMBL147970;DTXSID90381370;CL9090;MFCD03788534;AKOS015891406;AM62585;PS-7420;2-bromo-4-trifluoromethylbenzyl alcohol;3-Bromo-4-(hydroxymethyl)benzotrifluoride;AC-28643;(2-Bromo-4-trifluoromethyl-phenyl)-methanol;FT-0691572;A22482;EN300-1934954;J-508250

Chemical Property of 2-Bromo-4-(trifluoromethyl)benzyl alcohol

Chemical Property:

• Vapor Pressure: 0.0123mmHg at 25°C
• Melting Point: 60-61
• Boiling Point: 249.1°C at 760 mmHg
• PKA: 13.53±0.10(Predicted)
• Flash Point: 104.4°C
• PSA: 20.23000
• Density: 1.667g/cm³
• LogP: 2.96020
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 253.95541
• Heavy Atom Count: 13
• Complexity: 171

Purity/Quality:

98% ^*data from raw suppliers

2-Bromo-4-(trifluoromethyl)benzylalcohol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(F)(F)F)Br)CO

Technology Process of 2-Bromo-4-(trifluoromethyl)benzyl alcohol

There total 2 articles about 2-Bromo-4-(trifluoromethyl)benzyl alcohol 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:

2-bromo-4-trifluoromethyl-benzoic acid (328-89-2) → (2-bromo-4-(trifluoromethyl)phenyl)methanol (497959-33-8)

Guidance literature:

With sodium tetrahydroborate; iodine; In tetrahydrofuran; at 0 ℃;

DOI:10.1021/acs.orglett.0c01615

Reference yield:

→ (2-bromo-4-(trifluoromethyl)phenyl)methanol (497959-33-8)

Guidance literature:

Reference yield: 96.3%

(2-bromo-4-(trifluoromethyl)phenyl)methanol (497959-33-8) → 2-bromo-1-(bromomethyl)-4-(trifluoromethyl)benzene (657-64-7)

Guidance literature:

With carbon tetrabromide; triphenylphosphine; In tetrahydrofuran; at 25 ℃; for 12h;

upstream raw materials:

2-bromo-4-trifluoromethyl-benzoic acid

Downstream raw materials:

2-(((tetrahydro-2H-pyran-2-yl)oxy)methyl)-5-(trifluoromethyl)benzaldehyde

1-(tert-butyl)-3-((5-chloro-3-(hydroxymethyl)pyridin-2-yl)methyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

1-(tert-butyl)-3-(2-(chloromethyl)-5-(trifluoromethyl)benzyl)-1H-pyrrolo[2,3-b]pyridin-2(3H)-one

2-bromo-1-(chloromethyl)-4-(trifluoromethyl)benzene