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Cas Database

622-97-9

622-97-9

Identification

  • Product Name:Benzene,1-ethenyl-4-methyl-

  • CAS Number: 622-97-9

  • EINECS:210-762-8

  • Molecular Weight:118.178

  • Molecular Formula: C9H10

  • HS Code:29029050

  • Mol File:622-97-9.mol

Synonyms:Styrene,p-methyl- (8CI);(4-Methylphenyl)ethene;(4-Tolyl)ethene;1-Ethenyl-4-methylbenzene;1-Methyl-4-vinylbenzene;1-p-Tolylethene;4-Ethenylmethylbenzene;4-Methylstyrene;4-Methylvinylbenzene;4-Vinyltoluene;PMS;p-Methylstyrene;p-Vinyltoluene;

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Safety information and MSDS view more

  • Pictogram(s):HarmfulXn

  • Hazard Codes:Xn

  • Signal Word:Danger

  • Hazard Statement:H226 Flammable liquid and vapourH304 May be fatal if swallowed and enters airways H315 Causes skin irritation H319 Causes serious eye irritation H332 Harmful if inhaled H335 May cause respiratory irritation

  • First-aid measures: General adviceConsult a physician. Show this safety data sheet to the doctor in attendance.If inhaled Fresh air, rest. Artificial respiration may be needed. Refer for medical attention. In case of skin contact Rinse and then wash skin with water and soap. In case of eye contact First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention. If swallowed Rinse mouth. Do NOT induce vomiting. Refer for medical attention . Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution. (ERG, 2016) If vinyl toluene gets into the eyes, wash eyes immediately with large amounts of water, lifting the lower and upper lids occasionally. Get medical attention as soon as possible. Contact lenses should not be worn when working with this chemical. /Vinyl toluene/

  • Fire-fighting measures: Suitable extinguishing media Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: CAUTION: All these products have a very low flash point: Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective. SMALL FIRE: Dry chemical, CO2, water spray or regular foam. LARGE FIRE: Water spray, fog or regular foam. Do not use straight streams. Move containers from fire area if you can do it without risk. FIRE INVOLVING TANKS OR CAR/TRAILER LOADS: Fight fire from maximum distance or use unmanned hose holders or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks engulfed in fire. For massive fire, use unmanned hose holders or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2016) Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2016) Wear self-contained breathing apparatus for firefighting if necessary.

  • Accidental release measures: Use personal protective equipment. Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate personnel to safe areas. Avoid breathing dust. For personal protection see section 8. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations. Personal protection: self-contained breathing apparatus. Pick up and arrange disposal. Sweep up and shovel. Keep in suitable, closed containers for disposal.

  • Handling and storage: Avoid contact with skin and eyes. Avoid formation of dust and aerosols. Avoid exposure - obtain special instructions before use.Provide appropriate exhaust ventilation at places where dust is formed. For precautions see section 2.2. Separated from strong oxidants and strong acids. Well closed. Keep in a well-ventilated room. Store only if stabilized.

  • Exposure controls/personal protection:Occupational Exposure limit valuesBiological limit values Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday. Eye/face protection Safety glasses with side-shields conforming to EN166. Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection Wear impervious clothing. The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique(without touching glove's outer surface) to avoid skin contact with this product. Dispose of contaminated gloves after use in accordance with applicable laws and good laboratory practices. Wash and dry hands. The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and the standard EN 374 derived from it. Respiratory protection Wear dust mask when handling large quantities. Thermal hazards

Supplier and reference price

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  • Manufacture/Brand:TRC
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Relevant articles and documentsAll total 261 Articles be found

Photoredox Catalyzed Sulfonylation of Multisubstituted Allenes with Ru(bpy)3Cl2 or Rhodamine B

Chen, Jingyun,Chen, Shufang,Jiang, Jun,Lu, Qianqian,Shi, Liyang,Xu, Zekun,Yimei, Zhao

supporting information, (2021/11/09)

A highly regio- and stereoselective sulfonylation of allenes was developed that provided direct access to α, β-substituted unsaturated sulfone. By means of visible-light photoredox catalysis, the free radicals produced by p-toluenesulfonic acid reacted with multisubstituted allenes to obtain Markovnikov-type vinyl sulfones with Ru(bpy)3Cl2 or Rhodamine B as photocatalyst. The yield of this reaction could reach up to 91%. A series of unsaturated sulfones would be used for further transformation to some valuable compounds.

Indene formation upon borane-induced cyclization of arylallenes, 1,1-carboboration, and retro-hydroboration

Hasenbeck, Max,Wech, Felix,Averdunk, Arthur,Becker, Jonathan,Gellrich, Urs

supporting information, p. 5518 - 5521 (2021/06/12)

We herein report the reaction of arylallenes with tris(pentafluorophenyl)borane that yields pentafluorophenyl substituted indenes. The tris(pentafluorophenyl)borane induces the cyclization of the allene and transfers a pentafluorophenyl ring in the course of this reaction. A Hammett plot analysis and DFT computations indicate a 1,1-carboboration to be the C-C bond-forming step.

Electrochemical fluorosulfonylation of styrenes

Jiang, Yi-Min,Wu, Shao-Fen,Yan, Hong,Ye, Ke-Yin,Yu, Yi,Yuan, Yaofeng

supporting information, p. 11481 - 11484 (2021/11/16)

An environmentally friendly and efficient electrochemical fluorosulfonylation of styrenes has been developed. With the use of sulfonylhydrazides and triethylamine trihydrofluoride, a diverse array of β-fluorosulfones could be readily obtained. This reaction features mild conditions and a broad substrate scope, which could also be conveniently extended to a gram-scale preparation.

Electrochemistry enabled selective vicinal fluorosulfenylation and fluorosulfoxidation of alkenes

Jiang, Yimin,Shi, Zhaojiang,Wu, Jinnan,Wu, Shaofen,Ye, Keyin,Yu, Yi,Yuan, Yaofeng

supporting information, (2021/11/17)

Both sulfur and fluorine play important roles in organic synthesis, the life science, and materials science. The direct incorporation of these elements into organic scaffolds with precise control of the oxidation states of sulfur moieties is of great significance. Herein, we report the highly selective electrochemical vicinal fluorosulfenylation and fluorosulfoxidation reactions of alkenes, which were enabled by the unique ability of electrochemistry to dial in the potentials on demand. Preliminary mechanistic investigations revealed that the fluorosulfenylation reaction proceeded through a radical-polar crossover mechanism involving a key episulfonium ion intermediate. Subsequent electrochemical oxidation of fluorosulfides to fluorosulfoxides were readily achieved under a higher applied potential with the adventitious H2O in the reaction mixture.

Clean protocol for deoxygenation of epoxides to alkenes: Via catalytic hydrogenation using gold

Fiorio, Jhonatan L.,Rossi, Liane M.

, p. 312 - 318 (2021/01/29)

The epoxidation of olefin as a strategy to protect carbon-carbon double bonds is a well-known procedure in organic synthesis, however the reverse reaction, deprotection/deoxygenation of epoxides is much less developed, despite its potential utility for the synthesis of substituted olefins. Here, we disclose a clean protocol for the selective deprotection of epoxides, by combining commercially available organophosphorus ligands and gold nanoparticles (Au NP). Besides being successfully applied in the deoxygenation of epoxides, the discovered catalytic system also enables the selective reduction N-oxides and sulfoxides using molecular hydrogen as reductant. The Au NP catalyst combined with triethylphosphite P(OEt)3 is remarkably more reactive than solely Au NPs. The method is not only a complementary Au-catalyzed reductive reaction under mild conditions, but also an effective procedure for selective reductions of a wide range of valuable molecules that would be either synthetically inconvenient or even difficult to access by alternative synthetic protocols or by using classical transition metal catalysts. This journal is

Process route upstream and downstream products

Process route

methanol
67-56-1

methanol

Methyl fluoride
593-53-3

Methyl fluoride

1-ethenyl-4-methylbenzene
622-97-9,24936-41-2

1-ethenyl-4-methylbenzene

3-methylstyrene
100-80-1

3-methylstyrene

1-methyl-2-vinyl-benzene
611-15-4

1-methyl-2-vinyl-benzene

1-(1-methoxyethyl)-3-methylbenzene
34386-38-4

1-(1-methoxyethyl)-3-methylbenzene

4-methyl-1-methoxyethylbenzene
79744-75-5

4-methyl-1-methoxyethylbenzene

1-(1-methoxyethyl)-2-methylbenzene

1-(1-methoxyethyl)-2-methylbenzene

Conditions
Conditions Yield
at 37 ℃; under 710 Torr; Mechanism; Product distribution; Irradiation;
Methyl fluoride
593-53-3

Methyl fluoride

d<sup>(4)</sup>-methanol
811-98-3

d(4)-methanol

1-ethenyl-4-methylbenzene
622-97-9,24936-41-2

1-ethenyl-4-methylbenzene

3-methylstyrene
100-80-1

3-methylstyrene

1-methyl-2-vinyl-benzene
611-15-4

1-methyl-2-vinyl-benzene

C<sub>10</sub>H<sub>11</sub><sup>(2)</sup>H<sub>3</sub>O

C10H11(2)H3O

C<sub>10</sub>H<sub>11</sub><sup>(2)</sup>H<sub>3</sub>O

C10H11(2)H3O

Conditions
Conditions Yield
at 37 ℃; under 700 Torr; Mechanism; Product distribution; Irradiation;
Methyl fluoride
593-53-3

Methyl fluoride

1-ethenyl-4-methylbenzene
622-97-9,24936-41-2

1-ethenyl-4-methylbenzene

3-methylstyrene
100-80-1

3-methylstyrene

1-propenylbenzene
873-66-5

1-propenylbenzene

1-methyl-2-vinyl-benzene
611-15-4

1-methyl-2-vinyl-benzene

Conditions
Conditions Yield
at 37 ℃; under 690 Torr; Mechanism; Product distribution; Irradiation; various concentration of substrates, addition of various amounts of NEt3;
methanol
67-56-1

methanol

1-ethenyl-4-methylbenzene
622-97-9,24936-41-2

1-ethenyl-4-methylbenzene

3-methylstyrene
100-80-1

3-methylstyrene

1-methyl-2-vinyl-benzene
611-15-4

1-methyl-2-vinyl-benzene

Conditions
Conditions Yield
H-ZVK-I-P; at 440 ℃; for 0.25h; Further Variations:; Catalysts; Product distribution;
Conditions
Conditions Yield
H-Fe-IR-28 zeolite; at 500 ℃; for 0.25h; Further Variations:; Catalysts; Temperatures; time; Product distribution;
H-TsVK-XI-P(2.5); at 510 ℃; for 0.17h; Further Variations:; Temperatures; Catalysts; contact time; Product distribution;
2-chloro-4-methoxyphenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
1131890-97-5

2-chloro-4-methoxyphenyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

4-methyl-N'-(1-(p-tolyl)ethylidene)benzenesulfonohydrazide
60672-33-5

4-methyl-N'-(1-(p-tolyl)ethylidene)benzenesulfonohydrazide

1-ethenyl-4-methylbenzene
622-97-9,24936-41-2

1-ethenyl-4-methylbenzene

2-chloro-4-methoxyphenol
18113-03-6

2-chloro-4-methoxyphenol

2-chloro-4-methoxy-1-(1-(p-tolyl)vinyl)benzene
1262210-20-7

2-chloro-4-methoxy-1-(1-(p-tolyl)vinyl)benzene

Conditions
Conditions Yield
With tris-(dibenzylideneacetone)dipalladium(0); lithium tert-butoxide; XPhos; In 1,4-dioxane; at 110 ℃; for 20h; Inert atmosphere; Reflux;
83%
10%
7%
ethene
74-85-1

ethene

1-ethenyl-4-methylbenzene
622-97-9,24936-41-2

1-ethenyl-4-methylbenzene

3-methylstyrene
100-80-1

3-methylstyrene

1-methyl-2-vinyl-benzene
611-15-4

1-methyl-2-vinyl-benzene

Conditions
Conditions Yield
With (N,N'-bis(2-tertbutylphenyl)-2,3-dimethyl-1,4-diaza-1,3-butadiene)Rh(TFA)(NCMe); copper diacetate; at 180 ℃; for 24h; under 2828.7 Torr; Overall yield = > 90 %;
4-methylethylbenzene
622-96-8

4-methylethylbenzene

1-ethenyl-4-methylbenzene
622-97-9,24936-41-2

1-ethenyl-4-methylbenzene

1-Methyl-3-ethylbenzene
620-14-4

1-Methyl-3-ethylbenzene

2-Ethyltoluene
611-14-3

2-Ethyltoluene

Conditions
Conditions Yield
With (H3O)2[(Mo6Cl8)Cl6]*6H2O; hydrogen; at 400 ℃; Product distribution;
Conditions
Conditions Yield
With 1-Methyl-3-ethylbenzene; water; chromium; iron; zinc; at 600 ℃; Product distribution; other temp.; other catalysts;
Conditions
Conditions Yield
at 1080 ℃; Product distribution; flow type reactor: flow rate 0.054 mol h-1; other temp., other flow rates;
60.5 % Turnov.
4.8 % Turnov.
2.0 % Turnov.
2.7 % Turnov.
4.5 % Turnov.
6.2 % Turnov.

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