2-(3-Chlorophenyl)ethanol

Base Information

• Chemical Name: 2-(3-Chlorophenyl)ethanol
• CAS No.: 5182-44-5
• Molecular Formula: C8H9ClO
• Molecular Weight: 156.612
• Hs Code.: 29052900
• European Community (EC) Number: 225-964-1
• DSSTox Substance ID: DTXSID70199773
• Nikkaji Number: J5.202G
• Wikidata: Q72456357
• Mol file: 5182-44-5.mol

Synonyms:2-(3-Chlorophenyl)ethanol;5182-44-5;3-Chlorophenethyl alcohol;3-CHLOROPHENETHYLALCOHOL;Benzeneethanol, 3-chloro-;2-(3-Chlorophenyl)Ethan-1-Ol;m-Chlorophenethyl alcohol;m-Chlorophenethylic alcohol;Phenethyl alcohol, m-chloro-;MFCD00002892;EINECS 225-964-1;AI3-36528;3-chlorobenzeneethanol;2-(3-chlorophenyl)-ethanol;3-Chloro-?-phenethyl alcohol;SCHEMBL625264;2-(3-chloro-phenyl)-ethanol;3-Chlorophenethyl alcohol, 98%;DTXSID70199773;AKOS009156872;CS-W001945;SY005019;TS-02082;AM20060377;C2907;FT-0615502;EN300-74915;W-105865;Z992289382

Chemical Property of 2-(3-Chlorophenyl)ethanol

Chemical Property:

• Appearance/Colour: Clear colorless to very slightly yellow liquid
• Vapor Pressure: 0.00756mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 257.2 °C at 760 mmHg
• PKA: 14.76±0.10(Predicted)
• Flash Point: 101.1 °C
• PSA: 20.23000
• Density: 1.189 g/cm³
• LogP: 1.87480
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 156.0341926
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

97% ^*data from raw suppliers

2-(3-Chlorophenyl)ethanol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)CCO

Technology Process of 2-(3-Chlorophenyl)ethanol

There total 9 articles about 2-(3-Chlorophenyl)ethanol 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: 95.0%

m-chlorophenylacetylene (766-83-6) → 2-(3-chlorophenyl)ethanol (5182-44-5)

Guidance literature:

With [2,2]bipyridinyl; formic acid; (η⁵-cyclopentadienyl) (η⁶-naphthalene)ruthenium hexafluorophosphate; water; In tetrahydrofuran; at 55 ℃; for 48h;

DOI:10.1038/nchem.1799

Reference yield: 76.0%

3-chlorophenylacetic acid (1878-65-5) → 2-(3-chlorophenyl)ethanol (5182-44-5)

Guidance literature:

With dimethylsulfide borane complex; In tetrahydrofuran;

DOI:10.1016/j.bmcl.2006.10.080

Reference yield:

3-Chlorostyrene (2039-85-2,26100-04-9) → 2-(3-chlorophenyl)ethanol (5182-44-5)

Guidance literature:

With sulfuric acid; In ethanol; at 25 ℃; Mechanism;

upstream raw materials:

methyl 3-chlorophenylacetate

3-chlorophenylacetic acid

3-Chlorostyrene

oxirane

Downstream raw materials:

1-chloro-3-(2-chloroethyl)benzene

N-Methyl-β-(m-chlorphenyl)-β'-phenyl-diaethylamin

2-(3-chlorophenyl)ethyl bromide

2-(m-chlorophenyl)ethyl tosylate