657408-07-6

• 常用中文名：2-双环己基膦-2',6'-二甲氧基联苯
• 常用英文名：2-Dicyclohexylphosphino-2',6'-dimethoxybiphenyl
• CAS号：657408-07-6
• 分子式：C₂₆H₃₅O₂P
• 分子量：410.529
• 相关类别： 有机原料 有机膦化合物
• 发布时间：2018-12-24 15:26:40
• 更新时间：2024-01-03 09:39:20
• 用途:作为配体，用于Buchwald, Suzuki等偶联反应中， 以及[4+2]环加成反应中

名称

• 中文名: 2-双环己基膦-2',6'-二甲氧基联苯
• 英文名: 2-Dicyclohexylphosphino-2’,6’-dimethoxybiphenyl
• 中文别名: 2-二环己基膦-2',6'-二甲氧基联苯; 二环己基(2',6'-二甲氧基-[1,1'-联苯]-2-基)膦; 2-双环己基膦-2’,6’-二甲氧基-1,1’-二联苯
• 英文别名: Dicyclohexyl(2',6'-dimethoxybiphenyl-2-yl)phosphine; dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane; S-PHOS; Dicyclohexyl(2',6'-dimethoxy-2-biphenylyl)phosphine; SPhos; Dicyclohexyl(2',6'-dimethoxybiphenyl-2-yl)phosphane; Dicyclohexyl(2',6'-dimethoxybiphenyl-2-yl)phosphan; Phosphine, dicyclohexyl(2',6'-dimethoxy[1,1'-biphenyl]-2-yl)-; MFCD05861611

物化性质

• 沸点: 513.3±40.0 °C at 760 mmHg
• 熔点: 164-166ºC
• 分子式: C₂₆H₃₅O₂P
• 分子量: 410.529
• 闪点: 330.7±27.6 °C
• 精确质量: 410.237457
• PSA: 32.05000
• LogP: 7.66
• 外观性状: crystal | white
• 蒸汽压: 0.0±1.3 mmHg at 25°C
• 储存条件: Refrigerated.
• 稳定性:

  按规定使用和贮存的不会分解，避空气

• 水溶解性: 可溶于：氯仿
• 计算化学:

  1.疏水参数计算参考值（XlogP）:6.7

  2.氢键供体数量:0

  3.氢键受体数量:2

  4.可旋转化学键数量:6

  5.互变异构体数量:无

  6.拓扑分子极性表面积18.5

  7.重原子数量:29

  8.表面电荷:0

  9.复杂度:441

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

• 更多:

  1. 性状：白色晶体

  2. 密度（g/mL20 ºC）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：164-166

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC0.35mmHg）：未确定

  7. 折射率：未确定

  8. 闪点（º C）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  11. 蒸气压（kPa,）：未确定

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（正辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

SECTION 1: Identification of the substance/mixture and of the company/undertaking Product identifiers Product name: SPhos REACH No.: A registration number is not available for this substance as the substance or its uses are exempted from registration, the annual tonnage does not require a registration or the registration is envisaged for a later registration deadline. CAS-No.: 657408-07-6 Relevant identified uses of the substance or mixture and uses advised against Identified uses: Laboratory chemicals, Manufacture of substances SECTION 2: Hazards identification Classification of the substance or mixture Not a hazardous substance or mixture according to Regulation (EC) No 1272/2008 This substance is not classified as dangerous according to Directive 67/548/EEC. Label elements Other hazards - none SECTION 3: Composition/information on ingredients Substances Synonyms: SPhos Formula: C26H35O2P Molecular Weight: 410,53 g/mol CAS-No.: 657408-07-6 No components need to be disclosed according to the applicable regulations. SECTION 4: First aid measures Description of first aid measures If inhaled If breathed in, move person into fresh air. If not breathing, give artificial respiration. In case of skin contact Wash off with soap and plenty of water. In case of eye contact Flush eyes with water as a precaution. If swallowed Never give anything by mouth to an unconscious person. Rinse mouth with water. Most important symptoms and effects, both acute and delayed The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in section 11 Indication of any immediate medical attention and special treatment needed no data available SECTION 5: Firefighting measures Extinguishing media Suitable extinguishing media Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special hazards arising from the substance or mixture Carbon oxides, Oxides of phosphorus Advice for firefighters Wear self contained breathing apparatus for fire fighting if necessary. Further information no data available SECTION 6: Accidental release measures Personal precautions, protective equipment and emergency procedures Avoid dust formation. Avoid breathing vapours, mist or gas. For personal protection see section 8. Environmental precautions Do not let product enter drains. Methods and materials for containment and cleaning up Sweep up and shovel. Keep in suitable, closed containers for disposal. Reference to other sections For disposal see section 13. SECTION 7: Handling and storage Precautions for safe handling Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire protection. For precautions see section 2.2. Conditions for safe storage, including any incompatibilities Store in cool place. Keep container tightly closed in a dry and well-ventilated place. Air sensitive. Store under inert gas. Specific end use(s) Apart from the uses mentioned in section 1.2 no other specific uses are stipulated SECTION 8: Exposure controls/personal protection Control parameters Components with workplace control parameters Exposure controls Appropriate engineering controls General industrial hygiene practice. Personal protective equipment Eye/face protection Use equipment for eye protection tested and approved under appropriate government standards such as NIOSH (US) or EN 166(EU). Skin protection 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. Full contact Material: Nitrile rubber Minimum layer thickness: 0,11 mm Break through time: 480 min Material tested:Dermatril® (KCL 740 / Z677272, Size M) Splash contact Material: Nitrile rubber Minimum layer thickness: 0,11 mm Break through time: 480 min Material tested:Dermatril® (KCL 740 / Z677272, Size M) data source: KCL GmbH, D-36124 Eichenzell, phone +49 (0)6659 87300, test method: EN374 If used in solution, or mixed with other substances, and under conditions which differ from EN 374, contact the supplier of the CE approved gloves. This recommendation is advisory only and must be evaluated by an industrial hygienist and safety officer familiar with the specific situation of anticipated use by our customers. It should not be construed as offering an approval for any specific use scenario. Body Protection Choose body protection in relation to its type, to the concentration and amount of dangerous substances, and to the specific work-place., The type of protective equipment must be selected according to the concentration and amount of the dangerous substance at the specific workplace. Respiratory protection Respiratory protection is not required. Where protection from nuisance levels of dusts are desired, use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and approved under appropriate government standards such as NIOSH (US) or CEN (EU). Control of environmental exposure Do not let product enter drains. SECTION 9: Physical and chemical properties Information on basic physical and chemical properties a) AppearanceForm: solid b) Odourno data available c) Odour Thresholdno data available d) pHno data available e) Melting point/freezingMelting point/range: 164 - 166 °C point f) Initial boiling point and no data available boiling range g) Flash pointno data available h) Evapouration rateno data available i) Flammability (solid, gas) no data available j) Upper/lowerno data available flammability or explosive limits k) Vapour pressureno data available l) Vapour densityno data available m) Relative densityno data available n) Water solubilityno data available o) Partition coefficient: n- no data available octanol/water p) Auto-ignitionno data available temperature q) Decompositionno data available temperature r) Viscosityno data available s) Explosive propertiesno data available t) Oxidizing propertiesno data available Other safety information no data available SECTION 10: Stability and reactivity Reactivity no data available Chemical stability Stable under recommended storage conditions. Possibility of hazardous reactions no data available Conditions to avoid no data available Incompatible materials Strong oxidizing agents Hazardous decomposition products Other decomposition products - no data available In the event of fire: see section 5 SECTION 11: Toxicological information Information on toxicological effects Acute toxicity no data available Skin corrosion/irritation no data available Serious eye damage/eye irritation no data available Respiratory or skin sensitisation no data available Germ cell mutagenicity no data available Carcinogenicity IARC:No component of this product present at levels greater than or equal to 0.1% is identified as probable, possible or confirmed human carcinogen by IARC. Reproductive toxicity no data available Specific target organ toxicity - single exposure no data available Specific target organ toxicity - repeated exposure no data available Aspiration hazard no data available Additional Information RTECS: Not available SECTION 12: Ecological information Toxicity no data available Persistence and degradability no data available Bioaccumulative potential no data available Mobility in soil no data available Results of PBT and vPvB assessment PBT/vPvB assessment not available as chemical safety assessment not required/not conducted Other adverse effects no data available SECTION 13: Disposal considerations Waste treatment methods Product Offer surplus and non-recyclable solutions to a licensed disposal company. Contaminated packaging Dispose of as unused product. SECTION 14: Transport information UN number ADR/RID: -IMDG: -IATA: - UN proper shipping name ADR/RID: Not dangerous goods IMDG: Not dangerous goods IATA:Not dangerous goods Transport hazard class(es) ADR/RID: -IMDG: -IATA: - Packaging group ADR/RID: -IMDG: -IATA: - Environmental hazards ADR/RID: noIMDG Marine pollutant: noIATA: no Special precautions for user no data available SECTION 15: Regulatory information This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006. Safety, health and environmental regulations/legislation specific for the substance or mixture no data available Chemical Safety Assessment For this product a chemical safety assessment was not carried out SECTION 16: Other information Further information Copyright 2014 Co. LLC. License granted to make unlimited paper copies for internal use only. The above information is believed to be correct but does not purport to be all inclusive and shall be used only as a guide. The information in this document is based on the present state of our knowledge and is applicable to the product with regard to appropriate safety precautions. It does not represent any guarantee of the properties of the product. Corporation and its Affiliates shall not be held liable for any damage resulting from handling or from contact with the above product. See and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

安全

• 符号: GHS08
• 信号词: Warning
• 危害声明: H351
• 警示性声明: P281
• 个人防护装备: dust mask type N95 (US);Eyeshields;Gloves
• 危害码 (欧洲): Xn
• 风险声明 (欧洲): R40
• 安全声明 (欧洲): S24/25-S36-S37
• 危险品运输编码: NONH for all modes of transport
• 海关编码: 2922299090

合成路线

16523-54-9 755017-61-9 ~88% 657408-07-6

文献：Angewandte Chemie - International Edition, , vol. 48, # 32 p. 5841 - 5844

694-80-4 151-10-0 16523-54-9 ~36% 657408-07-6

文献：US2011/184059 A1, ; Page/Page column 9 ;

1380028-15-8 16523-54-9 ~48% 657408-07-6

文献：European Journal of Organic Chemistry, , # 11 p. 2127 - 2131

694-80-4 ~% 657408-07-6

文献：Journal of the American Chemical Society, , vol. 127, # 13 p. 4685 - 4696

151-10-0 ~% 657408-07-6

文献：Journal of the American Chemical Society, , vol. 127, # 13 p. 4685 - 4696

23112-96-1 95-50-1 ~% 657408-07-6

文献：European Journal of Organic Chemistry, , # 11 p. 2127 - 2131

上下游产品

上游产品  6
16523-54-9 755017-61-9 694-80-4 151-10-0
23112-96-1 95-50-1
下游产品  1
27012-22-2

海关

海关编码	2922299090
中文概述	2922299090. 其他氨基(萘酚、酚)及醚、酯〔包括它们的盐, 但含有一种以上含氧基的除外〕. 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, 乙醇胺及其盐应报明色度, 乙醇胺及其盐应报明包装
Summary	2922299090. other amino-naphthols and other amino-phenols, other than those containing more than one kind of oxygen function, their ethers and esters; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%