2-Chlorostyrene

Base Information

• Chemical Name: 2-Chlorostyrene
• CAS No.: 2039-87-4
• Molecular Formula: C8H7Cl
• Molecular Weight: 138.597
• Hs Code.: 29039990
• European Community (EC) Number: 218-026-8
• ICSC Number: 1388
• NSC Number: 18601
• UN Number: 1993
• UNII: ZA43R4Q315
• DSSTox Substance ID: DTXSID3024811
• Nikkaji Number: J2.139C
• Wikipedia: 2-Chlorostyrene
• Wikidata: Q4596876
• ChEMBL ID: CHEMBL1564623
• Mol file: 2039-87-4.mol

Synonyms:2-Chlorostyrene;2039-87-4;1-Chloro-2-vinylbenzene;O-CHLOROSTYRENE;1-chloro-2-ethenylbenzene;Benzene, 1-chloro-2-ethenyl-;Styrene, o-chloro-;ortho-Chlorostyrene;Stryene, o-chloro-;Styrene, 2-chloro-;o-Chlorovinylbenzene;CCRIS 4598;HSDB 3450;EINECS 218-026-8;NSC 18601;BRN 2038863;UNII-ZA43R4Q315;ZA43R4Q315;NSC-18601;4-05-00-01345 (Beilstein Handbook Reference);1-chloro-2-vinyl-benzene;o-Cloroestireno;o-Klorstyren;2-chloro-styrene;NSC18601;MFCD00000567;Chlorostyrene, ortho-;1-Chloro-2-vinylbenzene #;SCHEMBL15848;Benceno, 1-cloro-2-etenil-;1-chloranyl-2-ethenyl-benzene;O-CHLOROSTYRENE [HSDB];CHEMBL1564623;DTXSID3024811;AMY31202;1-CHLORO-2-(ETHENYL)BENZENE;LS-988;AKOS005257558;2-Chlorostyrene (stabilized with TBC);CS-W016485;PS-9078;NCGC00091054-01;FT-0612023;EN300-60998;A814530;Q4596876;W-107625;Z957339910;2-Chlorostyrene (stabilised with 0.1% 4-tert-Butylcatechol);2-Chlorostyrene, 97%, contains 0.1 % Hydroquinone as stabilizer;2-Chlorostyrene, 97%, contains 0.1% hydroquinone as stabilizer

Chemical Property of 2-Chlorostyrene

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Melting Point: -63.1 °C
• Refractive Index: n20/D 1.565(lit.)
• Boiling Point: 189.382 °C at 760 mmHg
• Flash Point: 60.443 °C
• PSA: 0.00000
• Density: 1.088 g/cm³
• LogP: 2.98300
• Storage Temp.: Refrigerator
• Water Solubility.: Insoluble in water.
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 138.0236279
• Heavy Atom Count: 9
• Complexity: 98.7
• Transport DOT Label: Flammable Liquid

Purity/Quality:

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

2-Chlorostyrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, T
• Hazard Codes: T,Xi
• Statements: 45-20/22-36/37/38
• Safety Statements: 53-23-36/37/39-45-37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Plastics & Rubber -> Styrenes
• Canonical SMILES: C=CC1=CC=CC=C1Cl
• Inhalation Risk: A harmful contamination of the air will be reached rather slowly on evaporation of this substance at 20 °C.
• Effects of Short Term Exposure: The substance is irritating to the eyes and skin.
• Uses: Organic synthesis; preparation of specialty polymers 2-Chlorostyrene is an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 2-Chlorostyrene

There total 29 articles about 2-Chlorostyrene 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: 97.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + 2-Chlorobenzyl alcohol (17849-38-6) → 2-chlorostyrene (2039-87-4,107830-52-4,26125-41-7)

Guidance literature:

2-Chlorobenzyl alcohol; With triethylphosphine hydrobromide; at 100 ℃; for 0.166667h; Microwave irradiation;

formaldehyd; With potassium carbonate; In water; at 100 ℃; for 0.0833333h; Microwave irradiation;

DOI:10.1080/10426507.2014.980907

Reference yield: 95.4%

3-tert-butylbenzene-1,2-diol (4026-05-5) + potassium tert-butylate (865-47-4) + N-acetyl-2-(2-chlorophenyl)ethylamine (105871-20-3) → 2-chlorostyrene (2039-87-4,107830-52-4,26125-41-7)

Guidance literature:

In water;

Reference yield: 95.0%

methylphenylsulfonate (3112-85-4) + 2-Chlorobenzyl alcohol (17849-38-6) → 2-chlorostyrene (2039-87-4,107830-52-4,26125-41-7)

Guidance literature:

With sodium hydride; In mineral oil; at 135 ℃; for 12h; Inert atmosphere; Schlenk technique;

DOI:10.1039/c5cc01965f

upstream raw materials:

trans-2-chlorocinnamic acid

2'-chloro-sec-phenethyl alcohol

acetic anhydride

2-chloro-benzaldehyde

Downstream raw materials:

2'-chlorobiphenyl-4-carboxylic acid methyl ester

o-Vinyl-phenyl-t-butyl-hydroxylamin

1-benzyl-2,3-dihydro-1H-indole

2-Chlor-(3'-hydroxybutyl)-benzol

Refernces

• 1、 Dong, Bingbing,Lu, Jiansha,Bao, Honghao,Zhang, Yuanyuan,Liu, Yingguo,Leng, Yuting. "Copper-Catalyzed Sulfonylation of Cyclobutanone Oxime Esters with Sulfonyl Hydrazides". supporting information. p. 3769 - 3776. Retrieved 2021/07/14.
• 2、 Lin, Shanshan,Liu, Jianguo,Ma, Longlong,Sun, Jiangming. "In-situ facile synthesis novel N-doped thin graphene layer encapsulated Pd@N/C catalyst for semi-hydrogenation of alkynes". . . Retrieved 2021/12/03.