934-71-4 (4-溴苯基甲基亚砜,1-Bromo-4-(methylsulfinyl)benzene)

快速询单

结构式：

4-溴苯基甲基亚砜MOL文件

CAS号：

934-71-4

中文名称：

4-溴苯基甲基亚砜

英文名称：

1-Bromo-4-(methylsulfinyl)benzene

分子式：

C₇H₇BrOS

分子量：

219.098880052567

4-溴苯基甲基亚砜(934-71-4)名称与标识符

名称

中文别名：

1-溴-4-(甲基亚磺酰)苯;1-溴-4-(甲基亚磺酰基)苯;4-溴苯基甲基亚砜;1-溴-4-(甲亚磺酰基)苯;

英文别名：

1-Bromo-4-(methylsulfinyl)benzene;1-bromo-4-methylsulfinylbenzene;Benzene,1-bromo-4-(methylsulfinyl)-;1-bromo-4-methanesulfinylbenzene;1-bromo-4-methylsulfinyl-benzene;4-BrC6H4SOMe;4-bromo-(methylsulfinyl)benzene;4-Bromophenyl methyl sulphoxide;4-Bromophenylmethylsulfoxide;4-bromophenylsulfinylmethane;Methyl 4-bromophenyl sulfoxide;p-BrC6H4S(O)Me;p-BrPhS(O)Me;4-Bromo(methylsulfinyl)benzene;Methyl p-bromophenyl sulfoxide;[(4-Bromophenyl)sulfinyl]methane;p-Bromophenyl methyl sulfoxide;4-Bromophenyl methyl sulfoxide;Benzene, 1-bromo-4-(methylsulfinyl)-;1-Brom-4-methansulfinylbenzen;Methyl (4-bromophenyl) sulfoxide;MPOPDYTWAYBUOD-UHFFFAOYSA-N;1-bromo-4-methanesulfinyl-Benzene;1-Bromo-4-(met;1-Bromo-4-(methylsulfinyl)benzene (ACI);Sulfoxide, p-bromophenyl methyl (7CI, 8CI);(±)-4-(Bromophenyl) methyl sulfoxide;(±)-p-Bromophenyl methyl sulfoxide;AKOS015835621;1-Bromo-4-(methylsulphinyl)benzene;SCHEMBL2575115;A12944;DTXSID90918463;934-71-4;J-620020;SY253160;PS-4871;MFCD00159074;1-Bromo-4-(methanesulfinyl)benzene;DB-005709;CS-0096007;1-BROMO-4-(METHYLSULPHINYL)BENZENE 97;

标识符

MDL：

MFCD00159074

InChIKey：

MPOPDYTWAYBUOD-UHFFFAOYSA-N

Inchi：

1S/C7H7BrOS/c1-10(9)7-4-2-6(8)3-5-7/h2-5H,1H3

SMILES：

O=S(C)C1C=CC(Br)=CC=1

4-溴苯基甲基亚砜(934-71-4)物化性质

实验特性

LogP : 3.05220
PSA : 36.28000
折射率 : 1.659
沸点 : 319.4°C at 760 mmHg
熔点 : 86-87 ºC
闪点 : 147°C
密度 : 1.68

计算特性

精确分子量 : 217.94000
氢键供体数量 : 0
氢键受体数量 : 2
可旋转化学键数量 : 1
同位素质量 : 217.94
重原子数量 : 10
复杂度 : 130
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 1
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.7
拓扑分子极性表面积 : 36.3

4-溴苯基甲基亚砜(934-71-4)安全信息

4-溴苯基甲基亚砜(934-71-4)海关数据

海关编码：

2930909090

海关数据：

中国海关编码：

2930909090

概述：

2930909090. 其他有机硫化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:30.0%

申报要素：

品名, 成分含量, 用途

Summary：

2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%

4-溴苯基甲基亚砜(934-71-4)推荐厂家更多厂家(16)

公司名称	手机号/电话	联系人	QQ	询单
北京百灵威科技有限公司	18210857532	翟先生	3650742139	询单
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上海腾准生物科技有限公司	19821570922 021-34053661	张经理	3003871136	询单
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金锦乐（湖南）化学有限公司		金锦乐	1226360695	询单
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江苏艾康生物医药研发有限公司	18795912720 025-66061636	杨情情	3004779232	询单
上海吉至生化科技有限公司	18117592386 021-57481218	吉至试剂	3007522982	询单

4-溴苯基甲基亚砜(934-71-4)合成路线

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Reagents: tert-Butyl hydroperoxide Catalysts: Vanadate(14-), triaconta-μ-oxooctadecaoxobis[μ10-[selenato(2-)-κO:κO:κO:κO′:κO′:… Solvents: Methanol ; 60 min, 25 °C

参考文献：

A Lacunary Polyoxovanadate Precursor and Transition-Metal-Sandwiched Derivatives for Catalytic Oxidation of Sulfides

Wan, Rong; He, Peipei; Liu, Zhen; Ma, Xinyi; Ma, Pengtao; et al, Chemistry - A European Journal, 2020, 26(40), 8760-8766

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Reagents: Oxygen Catalysts: [4-[2-[10-[2-(4-Carboxyphenyl)ethynyl]-9-anthracenyl]ethynyl]benzoato(2-)-κO,κO′… Solvents: Methanol , Chloroform ; 5 h, rt

参考文献：

Selective photooxidation of sulfides mediated by singlet oxygen using visible-light-responsive coordination polymers

Liang, Xiao; Guo, Zhifen; Wei, Hongxia; Liu, Xin; Lv, Hui; et al, Chemical Communications (Cambridge, 2018, 54(92), 13002-13005

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Reagents: Hydrogen peroxide Catalysts: N,N-Bis[(3,5-dichloro-2-hydroxyphenyl)methyl]glycine (reaction products with functionalized graphene oxide,iron complex) Solvents: Water ; 5 h, rt

参考文献：

Selective and green oxidation of sulfides in water using a new iron(III) bis(phenol) amine complex supported on functionalized graphene oxide

Aghajani, Milad; Safaei, Elham; Karimi, Babak, Synthetic Metals, 2017, 233, 63-73

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Reagents: Hydrogen peroxide Catalysts: 2732900-19-3 (bonded to Fe3O4) ; 210 min, rt

参考文献：

Schiff base complex of Mo supported on iron oxide magnetic nanoparticles (Fe3O4) as recoverable nanocatalyst for the selective oxidation of sulfides

Aghajani, Milad; Monadi, Niaz, Journal of the Iranian Chemical Society, 2017, 14(5), 963-975

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Reagents: Hydrogen peroxide Catalysts: Vanadium oxide (V2O5) (polyaniline supported) Solvents: Water ; 0.5 h, rt

参考文献：

Polyaniline

Punniyamurthy, Tharmalingam; Kannan, Masanam, e-EROS Encyclopedia of Reagents for Organic Synthesis, 2012, 1, 1-4

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Reagents: Iodobenzene diacetate Catalysts: (SP-5-31)-Carbonyl[5,10,15,20-tetrakis(2,4,6-trimethylphenyl)-21H,23H-porphinato… Solvents: Chloroform-d ; 100 h, 25 °C

参考文献：

Visible light-promoted selective oxidation of sulfides to sulfoxides catalyzed by ruthenium porphyrins with iodobenzene diacetate

Chen, Tse-Hong; Yuan, Zhibo; Carver, Aaron; Zhang, Rui, Applied Catalysis, 2014, 478, 275-282

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Catalysts: Molybdovanadophosphoric acid (H5PMo10V2O40) Solvents: Acetic acid ; 1 h, 70 °C; cooled

参考文献：

Electron Transfer-Oxygen Transfer Oxygenation of Sulfides Catalyzed by the H5PV2Mo10O40 Polyoxometalate

Khenkin, Alexander M.; Leitus, Gregory; Neumann, Ronny, Journal of the American Chemical Society, 2010, 132(33), 11446-11448

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Reagents: Hydrogen peroxide Catalysts: Zinc nitrate hexahydrate Solvents: Acetonitrile ; 3 - 24 h, rt

参考文献：

Method of producing sulfoxides by catalytic oxidation of thioethers

, Russian Federation, , ,

合成路线：1 步

104-95-0

_100%

934-71-4

反应条件：

1.1 Reagents: tert-Butyl hydroperoxide Catalysts: Rhenium, [2-(mercapto-κS)benzenemethanethiolato(2-)-κS]methyloxo(triphenylphosph… Solvents: Chloroform

参考文献：

Oxorhenium(V) Dithiolates Catalyze the Oxidation by tert-Butyl Hydroperoxide of Sulfoxides and Sulfides, Including 4,6-Dimethyldibenzothiophene

Wang, Ying; Lente, Gabor; Espenson, James H., Inorganic Chemistry, 2002, 41(5), 1272-1280

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Hydrogen peroxide Catalysts: 2962812-46-8 Solvents: Methanol ; 50 min, 50 °C

参考文献：

Two 3D Two-Fold Interpenetrated Dia-Like Polyoxometalate-Based Metal-Organic Frameworks: Synthesis and Sulfide Selective Oxidation Activity

Bai, Xue; Han, Xu; Wang, Yuxin; Zhang, Ange; Yang, Yanli; et al, Inorganic Chemistry, 2023, 62(33), 13221-13229

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Acetic acid , Hydrogen peroxide Solvents: Water ; 0 °C; overnight, rt; rt → 0 °C
1.2 Reagents: Sodium hydroxide Solvents: Water ; basified, 0 °C

参考文献：

Ligand-to-metal ratio controls stereoselectivity: Highly functional-group-tolerant, iridium-based, (E)-selective alkyne transfer semihydrogenation

Kusy, Rafal; Lindner, Marcin; Wagner, Jakub; Grela, Karol, Chem Catalysis, 2022, 2(6), 1346-1361

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Oxygen Catalysts: Ruthenium(2+), tris(2,2′-bipyridine-κN1,κN1′)-, (OC-6-11)-, 1,1,1-trifluorometha… , 2865164-71-0 Solvents: Acetonitrile ; 1 h, rt

参考文献：

Lanthanide-Anderson Polyoxometalates Frameworks: Efficient Sulfide Photooxidation

Ke, De-Gang; Huang, Sheng-Li ; Yang, Guo-Yu, Inorganic Chemistry, 2022, 61(49), 20080-20086

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Oxygen Catalysts: 12-Hexyl-6-hydroxy-5H-dibenzo[b,h]fluorene-5,11,13-trione Solvents: 1,1,1,3,3,3-Hexafluoro-2-propanol ; 2 min, rt; 60 min, rt

参考文献：

KuQuinone as a Highly Stable and Reusable Organic Photocatalyst in Selective Oxidation of Thioethers to Sulfoxides

Forchetta, Mattia ; Sabuzi, Federica; Stella, Lorenzo ; Conte, Valeria; Galloni, Pierluca, Journal of Organic Chemistry, 2022, 87(21), 14016-14025

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Oxygen Catalysts: Boronic acid, B,B′-1,4-phenylenebis-, polymer with 1,3,6,8-tetrabromopyrene Solvents: Acetonitrile ; 12 h, rt

参考文献：

Designed polymeric conjugation motivates tunable activation of molecular oxygen in heterogeneous organic photosynthesis

Sun, Wenhao; Xiang, Yonggang; Jiang, Zhihui; Wang, Shengyao; Yang, Nan; et al, Science Bulletin, 2022, 67(1), 61-70

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Acetic acid , Hydrogen peroxide Solvents: Water ; 0 °C; overnight, rt; rt → 0 °C
1.2 Reagents: Sodium hydroxide ; basified

参考文献：

Highly functional group tolerant, (E)-selective transfer semihydrogenation of alkynes catalyzed by iridium complex bearing unsymmetrical ferrocene-based phosphine ligand

Kusy, Rafal; Lindner, Marcin; Wagner, Jakub; Grela, Karol, ChemRxiv, 2021, 1, 1-15

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Hydrogen peroxide Catalysts: Toluene 2,4-diisocyanate (functionalized TiO2 nanoparticles immobilized on deep eutectic solvent) ; 80 min, rt

参考文献：

Deep eutectic solvent-assisted synthesis of highly efficient nanocatalyst (n-TiO2@TDI@DES (ZnCl2:urea)) for chemoselective oxidation of sulfides to sulfoxides

Taghavi, Shaghayegh; Amoozadeh, Ali ; Nemati, Firouzeh, Applied Organometallic Chemistry, 2021, 35(3),

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Sulfuric acid magnesium salt (1:1) , Hydrogen peroxide Catalysts: 1,3-Dimethyl-2,4,5,6(1H,3H)-pyrimidinetetrone Solvents: Dichloromethane , Water ; 30 min, rt

参考文献：

Alloxan-Catalyzed Biomimetic Oxidations with Hydrogen Peroxide or Molecular Oxygen

Zhang, Shiqi; Li, Guangxun ; Li, Ling; Deng, Xiongfei; Zhao, Gang ; et al, ACS Catalysis, 2020, 10(1), 245-252

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Hydrogen peroxide Catalysts: Palladium Solvents: Methanol , Water ; 16 h, 60 °C

参考文献：

Synthesis and nano-Pd catalyzed chemoselective oxidation of symmetrical and unsymmetrical sulfides

Li, Xing; Du, Jia; Zhang, Yongli; Chang, Honghong; Gao, Wenchao; et al, Organic & Biomolecular Chemistry, 2019, 17(11), 3048-3055

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: Oxygen Catalysts: 9H-Fluoren-9-one, 2,7-di-9H-carbazol-9-yl-, polymer with dimethoxymethane Solvents: Methanol , Acetonitrile ; 20 h, 1 atm, 25 °C

参考文献：

Robust porous organic polymers as efficient heterogeneous organo-photocatalysts for aerobic oxidation reactions

Zhi, Yongfeng; Li, Kun; Xia, Hong; Xue, Ming; Mu, Ying; et al, Journal of Materials Chemistry A: Materials for Energy and Sustainability, 2017, 5(18), 8697-8704

合成路线：1 步

104-95-0

_99%

934-71-4

反应条件：

1.1 Reagents: 2,3-Benzodioxin-1,4-dione Solvents: Dichloromethane ; 8 h, 25 °C

参考文献：

Metal- and additive-free oxygen-atom transfer reaction: an efficient and chemoselective oxidation of sulfides to sulfoxides with cyclic diacyl peroxides

Gan, Shaoyan; Yin, Junjie; Yao, Yuan; Liu, Yang; Chang, Denghu; et al, Organic & Biomolecular Chemistry, 2017, 15(12), 2647-2654

4-溴苯基甲基亚砜(934-71-4)上下游

4,4,5,5-四甲基-2-(4-(甲基亚磺酰基)苯基)-1,3,2-二噁硼烷

4-溴苯基甲基亚砜(934-71-4)相关文献

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4-溴苯基甲基亚砜(934-71-4) MSDS

基础信息

Material Safety Data Sheet

Section 1. Identi?cation of the substance
Product Name: 1-Bromo-4-(methylsul?nyl)benzene
Synonyms: 1-Bromo-4-methylsul?nylbenzene

Section 2. Hazards identi?cation
Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
Ingredient name: 1-Bromo-4-(methylsul?nyl)benzene
CAS number: 934-71-4

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator
    Hand precaution:        Wear suitable gloves/gauntlets
    Skin protection:        Wear suitable protective clothing
    Eye protection:        Wear suitable eye protection
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed
    Boiling point:        No data
    No data
    Melting point:
    Flash point:        No data
    Density:        No data
    Molecular formula:        C7H7BrOS
    Molecular weight:        219.1

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen bromide, sulfur oxides.

Section 11. Toxicological information
No data.

Section 12. Ecological information
No data.

Section 13. Disposal consideration
Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.

SECTION 16 - ADDITIONAL INFORMATION
N/A