2-Chlorobenzyl alcohol

Base Information

• Chemical Name: 2-Chlorobenzyl alcohol
• CAS No.: 17849-38-6
• Molecular Formula: C7H7ClO
• Molecular Weight: 142.585
• Hs Code.: 29062900
• European Community (EC) Number: 241-801-7
• UNII: U3BR8W8F7X
• DSSTox Substance ID: DTXSID2075132
• Nikkaji Number: J284D
• Wikidata: Q72517377
• Mol file: 17849-38-6.mol

Synonyms:2-CHLOROBENZYL ALCOHOL;17849-38-6;(2-chlorophenyl)methanol;Benzenemethanol, 2-chloro-;o-Chlorobenzyl alcohol;2-Chlorobenzenemethanol;Benzyl alcohol, o-chloro-;MFCD00004604;ortho-Chlorobenzyl alcohol;Benzenemethanol, ar-chloro-;(2-Chloro-phenyl)-methanol;EINECS 241-801-7;AI3-20627;29349-22-2;2-chlorobenzylalcohol;(2-chlorophenyl)methan-1-ol;2-chlorophenylmethanol;o-Chlorobenzenemethanol;2-chloro-benzyl alcohol;(2-chlorophenyl)-methanol;U3BR8W8F7X;SCHEMBL96359;2-Chlorobenzyl alcohol, 99%;DTXSID2075132;AC8053;AKOS000119662;CS-W016422;PS-5485;SY003561;AM20060901;FT-0611923;EN300-20089;2-Chlorobenzyl Alcohol;A812377;AC-509/25001981;W-107817;Z104476786

Chemical Property of 2-Chlorobenzyl alcohol

Chemical Property:

• Appearance/Colour: White fine crystalline powder
• Melting Point: 69-72 °C
• Refractive Index: 1.5390 (estimate)
• Boiling Point: 230 °C at 760 mmHg
• PKA: 13.99±0.10(Predicted)
• Flash Point: 95.4 °C
• PSA: 20.23000
• Density: 1.237 g/cm³
• LogP: 1.83230
• Storage Temp.: Store at RT.
• Solubility.: chloroform: soluble25mg/mL, clear, colorless
• XLogP3: 1.8
• 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:

99%min ^*data from raw suppliers

(2-Chlorophenyl)methanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CO)Cl
• Uses: (2-Chlorophenyl)methanol is used as a reactant in the preparation of aldehydes and ketones using transition metal free aerobic oxidation and catalyzed by TEMPO/Br2/NaNO2.

Technology Process of 2-Chlorobenzyl alcohol

There total 94 articles about 2-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 chlorobenzoate (610-96-8) → 2-Chlorobenzyl alcohol (17849-38-6)

Guidance literature:

With sodium tetrahydroborate; In 1,4-dioxane; water; for 6h; Ambient temperature;

Reference yield: 97.0%

ortho-chlorobenzoic acid (118-91-2) → 2-Chlorobenzyl alcohol (17849-38-6)

Guidance literature:

With samarium diiodide; phosphoric acid; In tetrahydrofuran; for 0.000833333h; Ambient temperature;

DOI:10.1016/S0040-4020(01)80441-5

Reference yield: 97.0%

o-chlorobenzoyl chloride (609-65-4) → 2-Chlorobenzyl alcohol (17849-38-6)

Guidance literature:

With Zr(BH₄)2Cl₂(dabco)2; In tetrahydrofuran; for 1.8h; Heating;

upstream raw materials:

phosgene

diethyl ether

2-ClC₆H₄CH₂OBn

isopropylmagnesium bromide

Downstream raw materials:

9-(2-chlorobenzyl)-9H-fluorene

Oxalsaeure-bis-(o-chlor-benzylester)

p-Nitrophenyl-o-chlorbenzylcarbonat

2-chloro-benzaldehyde

Refernces

• 1、 Desai,Swami,Nandurdikar. "Selective reduction of aldehydes to alcohols by FeS-NH4Cl-CH3OH-H2O system". . p. 931 - 933. Retrieved 2002.
• 2、 Leonard. "-". . p. 570. Retrieved 1916.
• 3、 Li, Xiaohong,Shen, Yali,Song, Liying,Wang, Hongna,Wu, Haihong,Liu, Yueming,Wu, Peng. "Efficient hydrogenation of benzaldehydes over mesopolymer-entrapped pt nanoparticles in water". . p. 699 - 706. Retrieved 2009.
• 4、 Ding, Yue,Li, Xiaohong,Pan, Huiyan,Wu, Peng. "Ru nanoparticles entrapped in ordered mesoporous carbons: An efficient and reusable catalyst for liquid-phase hydrogenation". . p. 268 - 277. Retrieved 2014.
• 5、 Carrera, Ignacio,Gonzalez, David,Martínez, Sebastián,Seoane, Gustavo,Umpiérrez, Diego,Veiga, Nicolás,Vila, María Agustina,de la Sovera, Victoria. "Synthesis of Azido-Dienediols by Enzymatic Dioxygenation of Benzylazides: An Experimental and Theoretical Study". supporting information. . Retrieved 2022/03/01.
• 6、 Chakraborty, Soumi,Das, Arpan,Mandal, Swadhin K.. "Redox-active ligand based Mn(i)-catalyst for hydrosilylative ester reduction". supporting information. p. 12671 - 12674. Retrieved 2021/12/04.