4837-01-8

• 常用中文名：2-溴乙基苯基硫醚
• 常用英文名：2-bromoethyl phenyl sulfide
• CAS号：4837-01-8
• 分子式：C₈H₉BrS
• 分子量：217.12600
• 发布时间：2018-05-27 08:00:00
• 更新时间：2024-01-04 07:33:20
• 聚合物/大分子半导体砌块

名称

• 中文名: 苯基溴代乙基硫醚
• 英文名: 2-bromoethyl phenyl sulfide
• 中文别名: 2-溴乙基苯基硫醚
• 英文别名: 2-bromoethylsulfanylbenzene; EINECS 225-422-4; MFCD00040826; 2-Bromoethyl Phenyl Sulfide

物化性质

• 密度: 1.44g/cm3
• 沸点: 261.7ºC at 760mmHg
• 分子式: C₈H₉BrS
• 分子量: 217.12600
• 闪点: 112.1ºC
• 精确质量: 215.96100
• PSA: 25.30000
• LogP: 3.17360
• 外观性状: 液体;Colorless to Yellow clear liquid
• 折射率: 1.604
• 储存条件:

  常温，避光，阴凉干燥处，密封保存

• 稳定性:

  常温常压下稳定

• 分子结构:

  1、 摩尔折射率：51.75

  2、 摩尔体积（m³/mol）：150.3

  3、 等张比容（90.2K）：388.9

  4、 表面张力（dyne/cm）：44.7

  5、 极化率（10 ^-24cm ³）：20.51

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：3.6

  2、 氢键供体数量：0

  3、 氢键受体数量：0

  4、 可旋转化学键数量：3

  5、 拓扑分子极性表面积（TPSA）：0

  6、 重原子数量：10

  7、 表面电荷：0

  8、 复杂度：79.3

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：无色液体

  2. 密度：1.44

  3. 相对蒸汽密度（g/mL,空气=1）：不确定

  4. 熔点（ºC）：不确定

  5. 沸点（ºC,0.67kpa）：不确定

  6. 沸点（ºC,15 mmHg）：137

  7. 折射率（nD20）：不确定

  8. 闪点（ºC）：不确定

  9. 比旋光度（º, C=0.25, MeOH）：不确定

  10. 自燃点或引燃温度（ºC）：不确定

  11. 蒸气压（kPa,25ºC）：不确定

  12. 饱和蒸气压（kPa,60ºC）：不确定

  13. 燃烧热（KJ/mol）：不确定

  14. 临界温度（ºC）：不确定

  15. 临界压力（KPa）：不确定

  16. 油水（辛醇/水）分配系数的对数值：不确定

  17. 爆炸上限（%,V/V）：不确定

  18. 爆炸下限（%,V/V）：不确定

  19. 溶解性：不确定

MSDS

Section I.Chemical Product and Company Identification Chemical Name 2-Bromoethyl Phenyl Sulfide Portland OR Synonym[(2-Bromoethyl)thio]-benzene Chemical FormulaC6H5SCH2Br CAS Number4837-01-8 Section II.Composition and Information on Ingredients Chemical NameCAS Number Percent (%)TLV/PELToxicology Data 2-Bromoethyl Phenyl Sulfide4837-01-8---------- Not available.Not available. Section III. Hazards Identification Acute Health EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However, exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Chronic Health EffectsCARCINOGENIC EFFECTS : Not available. MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Section IV.First Aid Measures Eye ContactCheck for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical attention. Skin ContactIn case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing before reuse. Thoroughly clean shoes before reuse. Get medical attention. InhalationIf the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not improve. IngestionINDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat. Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic material was ingested; the absence of such signs, however, is not conclusive. SEEK IMMEDIATE MEDICAL ATTENTION in case of ingestion of a radioactive material. Section V.Fire and Explosion Data Not available. FlammabilityMay be combustible at high temperature.Auto-Ignition Flammable Limits Flash PointsNot available. Not available. Combustion ProductsThese products are toxic carbon oxides (CO, CO 2), sulfur oxides (SO2, SO3...), halogenated compounds. Fire Hazards Not available. Explosion HazardsRisks of explosion of the product in presence of mechanical impact: Not available. Risks of explosion of the product in presence of static discharge: Not available. Fire Fighting Media SMALL FIRE: Use DRY chemical powder. and InstructionsLARGE FIRE: Use water spray, fog or foam. DO NOT use water jet. Consult with local fire authorities before attempting large scale fire-fighting operations. Continued on Next Page 2-Bromoethyl Phenyl Sulfide Section VI.Accidental Release Measures Spill CleanupAbsorb with an inert material and put the spilled material in an appropriate waste disposal. Finish cleaning the spill by Instructionsrinsing any contaminated surfaces with copious amounts of water. Consult federal, state, and/or local authorities for assistance on disposal. Section VII. Handling and Storage Handling and StorageKeep away from heat. Mechanical exhaust required. When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe gas/fumes/ vapor/spray. Information Always store away from incompatible compounds such as oxidizing agents. Section VIII. Exposure Controls/Personal Protection Engineering ControlsProvide exhaust ventilation or other engineering controls to keep the airborne concentrations of vapors below their respective threshold limit value. Ensure that eyewash station and safety shower is proximal to the work-station location. Personal ProtectionSplash goggles. Lab coat. Vapor respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent. Exposure Limits Not available. Section IX. Physical and Chemical Properties Physical state @ 20°CLiquid.Solubility Not available. Not available. Specific Gravity Molecular WeightPartition Coefficient 217.13Not available. Boiling PointVapor Pressure Not available.Not available. Melting PointNot available.Vapor DensityNot available. Refractive IndexNot available.VolatilityNot available. Critical TemperatureNot available.OdorNot available. ViscosityNot available.TasteNot available. Section X.Stability and Reactivity Data Stability This material is stable if stored under proper conditions. (See Section VII for instructions) Conditions of InstabilityAvoid excessive heat and light. Incompatibilities Reactive with oxidizing agents. Section XI. Toxicological Information RTECS NumberNot available. Routes of ExposureEye Contact. Ingestion. inhalation. Toxicity DataNot available. CARCINOGENIC EFFECTS : Not available. Chronic Toxic Effects MUTAGENIC EFFECTS : Not available. TERATOGENIC EFFECTS : Not available. DEVELOPMENTAL TOXICITY: Not available. Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions. Acute Toxic EffectsNo specific information is available in our data base regarding the toxic effects of this material for humans. However, exposure to any chemical should be kept to a minimum. Skin and eye contact may result in irritation. May be harmful if inhaled or ingested. Always follow safe industrial hygiene practices and wear proper protective equipment when handling this compound. Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound. Continued on Next Page 2-Bromoethyl Phenyl Sulfide Section XII.Ecological Information EcotoxicityNot available. Environmental FateNot available. Section XIII. Disposal Considerations Recycle to process, if possible. Consult your local regional authorities. You may be able to dissove or mix material with a Waste Disposal combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and locl regulations when disposing of the substance. Section XIV. Transport Information DOT ClassificationNot a DOT controlled material (United States). PIN NumberNot applicable. Proper Shipping Name Not applicable. Packing Group (PG)Not applicable. DOT Pictograms Section XV. Other Regulatory Information and Pictograms TSCA Chemical InventoryThis product is NOT on the EPA Toxic Substances Control Act (TSCA) inventory. The following notices are required by 40 CFR 720.36 (C) for those products not on the inventory list: (EPA) (i) These products are supplied solely for use in research and development by or under the supervision of a technically qualified individual as defined in 40 CFR 720.0 et sec. (ii) The health risks of these products have not been fully determined. Any information that is or becomes available will be supplied on an MSDS sheet. WHMIS ClassificationNot available. (Canada) EINECS Number (EEC) 225-422-4 EEC Risk StatementsNot available. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 主要的刺激性影响 在皮肤上面：刺激皮肤和粘膜 在眼睛上面：刺激的影响 致敏作用：没有已知的敏化影响 生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 风险声明 (欧洲): R36/38
• 安全声明 (欧洲): S26-S36
• 海关编码: 2930909090

合成路线

699-12-7 ~10% 4837-01-8

文献：Zheng, Can-Hui; Yang, Hui; Zhang, Meng; Lu, Shi-Hai; Shi, Duo; Wang, Juan; Chen, Xiu-Hua; Ren, Xiao-Hui; Liu, Jia; Lv, Jia-Guo; Zhu, Ju; Zhou, You-Jun Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 1 p. 39 - 44

108-98-5 106-93-4 ~69% 4837-01-8

文献：Su, Tao; Xie, Shishun; Wei, Hui; Yan, Jun; Huang, Ling; Li, Xingshu Bioorganic and Medicinal Chemistry, 2013 , vol. 21, # 18 p. 5830 - 5840

103-04-8 ~93% 4837-01-8

文献：Moriya, Toshimitsu; Yoneda, Shinichiro; Kawana, Keita; Ikeda, Reiko; Konakahara, Takeo; Sakai, Norio Organic Letters, 2012 , vol. 14, # 18 p. 4842 - 4845,4

5535-49-9 ~61% 4837-01-8

文献：Converse, Antonella; Saaidi, Pierre-Loic; Sharpless, K. Barry; Finn Journal of Organic Chemistry, 2004 , vol. 69, # 21 p. 7336 - 7339

930-69-8 106-93-4 ~71% 4837-01-8

文献：Bucher, Christoph B.; Heimgartner, Heinz Helvetica Chimica Acta, 1996 , vol. 79, # 7 p. 1903 - 1915

5535-49-9 75-16-1 ~68% 874-79-3 4837-01-8

文献：Converse, Antonella; Saaidi, Pierre-Loic; Sharpless, K. Barry; Finn Journal of Organic Chemistry, 2004 , vol. 69, # 21 p. 7336 - 7339

930-69-8 540-51-2 ~% 4837-01-8

文献：Kochi,J.K. et al. Tetrahedron, 1968 , vol. 24, p. 3503 - 3515

139-02-6 106-93-4 ~% 4837-01-8

文献：Bayer and Co. Patent: DE406151 ; Fortschr. Teerfarbenfabr. Verw. Industriezweige, vol. 14, p. 1284

上下游产品

上游产品  9
699-12-7 108-98-5 106-93-4 103-04-8
5535-49-9 930-69-8 75-16-1 540-51-2
139-02-6
下游产品  10
106118-84-7 2014-78-0 640-57-3 1822-73-7
699-12-7 5535-48-8 622-20-8 882-33-7
101933-27-1 34920-62-2

海关

海关编码	2930909090
中文概述	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%