Styrene

Base Information

• Chemical Name: Styrene
• CAS No.: 6911-81-5
• Deprecated CAS: 79637-11-9,1161074-30-1,1198090-46-8,1453489-93-4,1646200-96-5,2015955-51-6,2351150-23-5,2576469-81-1,1198090-46-8,1453489-93-4
• Molecular Formula: C8H7D
• Molecular Weight: 105.144
• European Community (EC) Number: 202-851-5,614-500-7,633-281-9
• ICSC Number: 0073
• NSC Number: 62785
• UN Number: 2055
• UNII: 44LJ2U959V
• DSSTox Substance ID: DTXSID2021284
• Nikkaji Number: J4.006A
• Wikipedia: Styrene
• Wikidata: Q28917
• RXCUI: 1362878
• Metabolomics Workbench ID: 46441
• ChEMBL ID: CHEMBL285235
• Mol file: 6911-81-5.mol

Synonyms:Monomer, Styrene;Styrene;Styrene Monomer;Styrol;Vinylbenzene

Chemical Property of Styrene

Chemical Property:

• Refractive Index: n20/D 1.546(lit.)
• Boiling Point: 50-51 °C25 mm Hg(lit.)
• Flash Point: 31 °C
• PSA: 0.00000
• Density: 0.917 g/mL at 25 °C(lit.)
• LogP: 2.32960
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 104.062600255
• Heavy Atom Count: 8
• Complexity: 68.1
• Transport DOT Label: Flammable Liquid

Purity/Quality:

98%min ^*data from raw suppliers

TRANS-STYRENE-(BETA)-D 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 10-20-36/38
• Safety Statements: 23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: UVCB,Plastics & Rubber -> Styrenes
• Canonical SMILES: C=CC1=CC=CC=C1
• 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, skin and respiratory tract. If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. The substance may cause effects on the central nervous system. Exposure at high levels could cause unconsciousness.
• Effects of Long Term Exposure: The substance defats the skin, which may cause dryness or cracking. The substance may have effects on the central nervous system. Exposure to the substance may increase noise-induced hearing loss. This substance is possibly carcinogenic to humans.

Technology Process of Styrene

There total 49 articles about Styrene 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: 98.0%

[(E)-2-bromoethenyl]benzene (588-72-7,1340-14-3) → (E)-β-deuteriostyrene (6911-81-5)

Guidance literature:

[(E)-2-bromoethenyl]benzene; With n-butyllithium; In diethyl ether; at -78 ℃;

With deuteromethanol; In diethyl ether;

DOI:10.1016/j.tetlet.2018.06.026

Reference yield: 90.0%

(E)-1-(triethylsilyl)-2-phenylethene (21209-32-5) → (E)-β-deuteriostyrene (6911-81-5)

Guidance literature:

With hydrogen chloride; In acetonitrile; at 60 ℃; for 24h;

DOI:10.1038/s41557-020-00589-8

Reference yield: 75.0%

1-(2-methoxyvinyl)benzene (4747-15-3) → (E)-β-deuteriostyrene (6911-81-5)

Guidance literature:

1-(2-methoxyvinyl)benzene; With n-butyllithium; zirconocene dichloride; In tetrahydrofuran; at -78 - 20 ℃;

With deuteromethanol; In tetrahydrofuran; at -20 - 20 ℃; Further stages.;

DOI:10.1021/jo005561n

upstream raw materials:

styrene

carbon monoxide

n-butyl magnesium bromide

[(E)-2-bromoethenyl]benzene

Downstream raw materials:

C₁₄H₁₁⁽²⁾HClNO₂S

C₁₄H₁₁⁽²⁾HClNO₂S

C₁₅H₁₄⁽²⁾HClS

C₁₅H₁₄⁽²⁾HClS

Refernces

• 1、 Diáz-Oviedo, C. David,Maji, Rajat,List, Benjamin. "The Catalytic Asymmetric Intermolecular Prins Reaction". supporting information. p. 20598 - 20604. Retrieved 2021/12/14.
• 2、 Berhal, Farouk,Grimaud, Laurence,Kirby, Georgina,Prestat, Guillaume,Vitale, Maxime R.. "Iron(ii)-catalyzed intermolecular aziridination of alkenes employing hydroxylamine derivatives as clean nitrene sources". supporting information. p. 9428 - 9432. Retrieved 2021/12/09.