3-Chlorobenzyl alcohol

Base Information

• Chemical Name: 3-Chlorobenzyl alcohol
• CAS No.: 873-63-2
• Molecular Formula: C7H7ClO
• Molecular Weight: 142.585
• Hs Code.: 29062900
• European Community (EC) Number: 212-847-5
• DSSTox Substance ID: DTXSID70236273
• Nikkaji Number: J141.586G
• Wikidata: Q72517380
• Mol file: 873-63-2.mol

Synonyms:3-Chlorobenzyl alcohol;873-63-2;(3-Chlorophenyl)methanol;m-Chlorobenzyl alcohol;3-chlorobenzylalcohol;Benzenemethanol, 3-chloro-;3-Chlorobenzenemethanol;EINECS 212-847-5;m-chlorobenzylalcohol;3-chlorobenyl alcohol;3-chloro-benzyl alcohol;(3-chlorophenyl)-methanol;Benzyl alcohol, m-chloro-;(3-Chlorophenyl)methanol #;SCHEMBL94762;3-Chlorobenzyl alcohol, 98%;DTXSID70236273;CHEBI:194665;MFCD00004632;AKOS000249535;CS-W018271;PS-5311;FT-0615474;EN300-25627;A24114;W-104030;Z212055560

Chemical Property of 3-Chlorobenzyl alcohol

Chemical Property:

• Appearance/Colour: clear liquid
• Vapor Pressure: 0.0299mmHg at 25°C
• Melting Point: 236 °C
• Refractive Index: n20/D 1.555(lit.)
• Boiling Point: 234.1 °C at 760 mmHg
• PKA: 14.09±0.10(Predicted)
• Flash Point: 95.4 °C
• PSA: 20.23000
• Density: 1.237 g/cm³
• LogP: 1.83230
• Storage Temp.: Store below +30°C.
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 142.0185425
• Heavy Atom Count: 9
• Complexity: 85

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chlorobenzyl Alcohol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 3-Chlorobenzyl alcohol

There total 57 articles about 3-Chlorobenzyl 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: 100.0%

methyl 3-chlorobenzoate (2905-65-9) → m-chlorobenzyl alcohol (873-63-2)

Guidance literature:

With sodium tetrahydroborate; In 1,4-dioxane; water; for 4h; Ambient temperature;

Reference yield: 99.0%

m-Chlorobenzaldehyde (587-04-2) → m-chlorobenzyl alcohol (873-63-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; at 20 ℃; for 0.3h; ultrasound irradiation;

DOI:10.1515/znb-2004-0612

Reference yield: 93.0%

m-Chlorobenzoyl chloride (618-46-2) → m-chlorobenzyl alcohol (873-63-2) + m-Chlorobenzaldehyde (587-04-2)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; N,N-dimethyl-formamide; at -70 ℃; for 0.1h;

DOI:10.1016/0040-4039(81)80027-5

upstream raw materials:

phosgene

diethyl ether

1-((benzyloxy)methyl)-3-chlorobenzene

isopropylmagnesium bromide

Downstream raw materials:

N^ε-(3-Chlorbenzyloxycarbonyl)-L-lysin

3-chlorobenzyl acetate

4-Methoxy-benzenesulfonic acid 3-chloro-benzyl ester

3-chlorobenzyl N,N-dimethylcarbamate

Refernces

• 1、 Aimar, Mario L.,Bordón, Daniela L.,Díaz Panero, Mariángeles,Decarlini, María F.,Demmel, Gabriel I.,Rossi, Laura I.,Vázquez, Ana M.. "Whole seeds of Bauhinia variegata L. (Fabaceae) as an efficient biocatalyst for benzyl alcohol preparations from benzaldehydes". . . Retrieved 2021/08/03.
• 2、 Hori, Momoko,Ishikawa, Ryuta,Koga, Yuji,Matsubara, Kouki,Mitsuyama, Tomoaki,Shin, Sayaka. "Homoleptic cobalt(II) phenoxyimine complexes for hydrosilylation of aldehydes and ketones without base activation of cobalt(II)". . p. 1379 - 1387. Retrieved 2021/05/29.