2-(甲基磺酰基)-5-(三丁基锡烷基)嘧啶 | 122476-85-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 中文名称: 2-(甲基磺酰基)-5-(三丁基锡烷基)嘧啶
• 中文别名: 2-甲基磺酰基-5-(三正丁锡)嘧啶
• 英文名称: 2-methylsulphonyl-5-tributylstannylpyrimidine
• 英文别名: 2-(methylsulfonyl)-5-(tributylstannyl)pyrimidine；tributyl-(2-methylsulfonylpyrimidin-5-yl)stannane
• CAS: 122476-85-1
• 化学式: C₁₇H₃₂N₂O₂SSn
• 分子量: 447.229
• InChiKey: RRHTVQOGUAOHDR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.94
• 重原子数：
  23
• 可旋转键数：
  11
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  68.3
• 氢给体数：
  0
• 氢受体数：
  4

安全信息

• 危险等级：
  6.1

SDS

Material Safety Data Sheet

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Section 1. Identification of the substance
Product Name: 2-(Methylsulfonyl)-5-(tributylstannyl)pyrimidine
Synonyms:

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Section 2. Hazards identification
Harmful by inhalation, in contact with skin, and if swallowed.
H301: Toxic if swallowed
H312: Harmful in contact with skin
H315: Causes skin irritation
H319: Causes serious eye irritation
H372: Causes damage to organs through prolonged or repeated exposure
H400: Very toxic to aquatic life
H410: Very toxic to aquatic life with long lasting effects
P280: Wear protective gloves/protective clothing/eye protection/face protection
Avoid release to the environment
P273:
IF exposed or you feel unwell:
P309:
P310: Immediately call a POISON CENTER or doctor/physician

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Section 3. Composition/information on ingredients.
Ingredient name: 2-(Methylsulfonyl)-5-(tributylstannyl)pyrimidine
CAS number: 122476-85-1

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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
flushing of the eyes by separating the eyelids with fingers. 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.

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Section 5. Fire fighting measures
In the event of a fire 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.

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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.

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

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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.

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Section 9. Physical and chemical properties
Not specified
Appearance:
Boiling point: No data
Melting point: No data
Flash point: No data
Density: No data
Molecular formula: C17H32N2O2SSn
Molecular weight: 447.2

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

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Section 11. Toxicological information
No data.

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Section 12. Ecological information
No data.

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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.

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Section 14. Transportation information
UN Number: UN2788 Class: 6.1 Packing group: III
Proper shipping name: ORGANOTIN COMPOUNDS, LIQUID, N.O.S. (2-(Methylsulfonyl)-5-(tributylstannyl)pyrimidine)

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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.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  2-(甲基磺酰基)-5-(三丁基锡烷基)嘧啶 、 苄基三乙基氯化铵 以88%的产率得到
  参考文献：
  名称：

  ARUKWE, JOSEPH;BENNECHE, TORE;UNDHEIM, KJELL, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 255-259

  摘要：

  DOI：
• 作为产物：
  描述：

  2 - (甲硫基)-5 - (三正丁基锡)嘧啶 、 间氯过氧苯甲酸 以93%的产率得到
  参考文献：
  名称：

  ARUKWE, JOSEPH;BENNECHE, TORE;UNDHEIM, KJELL, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 255-259

  摘要：

  DOI：

文献信息

• [EN] ANTIBACTERIAL CONDENSED THIAZOLES<br/>[FR] THIAZOLES CONDENSÉS ANTIBACTÉRIENS
  申请人：PROLYSIS LTD

  公开号：WO2009074812A1

  公开（公告）日：2009-06-18

  Compound of formula (I) have antibacterial activity: wherein: m is 0 or 1; Q is hydrogen or cyclopropyl; AIk is an optionally substituted, divalent C1-C6 alkylene, alkenylene or alkynylene radical which may contain an ether (-O-), thioether (-S-) or amino (-NR)- link, wherein R is hydrogen, -CN or C1-C3 alky!; X is -C(=O)NR6-, or -C(=O)O- wherein R6 is hydrogen, optionally substituted C1-C6 alkyl, C2-C6 alkenyl or C2-C6 alkynyl; Z1 is -N= or -CH= Z2 is -N= or -C(R1)=; R1 is hydrogen, methyl, ethyl, ethenyl, ethynyl, methoxy, mercapto, mercaptomethyl, halo, fully or partially fluorinated (C1-C2)alkyl, (C1-C2JaIkOXy or (C1-C2)alkylthio, nitro, or nitrile (-CN); R2 is a group Q1-[Alk1]q-Q2-, wherein q is 0 or 1; AIk1 is an optionally substituted, divalent, straight chain or branched C1-C6 alkylene, or C2-C6 alkenylene or C2-C6 alkynylene radical which may contain or terminate in an ether (-O-), thioether (-S-) or amino (-NR)- link; Q2 is an optionally substituted divalent monocyclic carbocyclic or heterocyclic radical having 5 or 6 ring atoms or an optionally substituted divalent bicyclic carbocyclic or heterocyclic radical having 9 or 10 ring atoms; Q1 is hydrogen, an optional substituent, or an optionally substituted carbocyclic or heterocyclic radical having 3-7 ring atoms.

  化合物的分子式（I）具有抗菌活性：其中：m为0或1；Q为氢或环丙基；AIk为可选择取代的、二价的C1-C6烷基、烯基或炔基基团，可能含有醚（-O-）、硫醚（-S-）或氨基（-NR）链，其中R为氢、-CN或C1-C3烷基；X为-C（=O）NR6-，或-C（=O）O-，其中R6为氢、可选择取代的C1-C6烷基、C2-C6烯基或C2-C6炔基；Z1为-N=或-CH=，Z2为-N=或-C(R1)=；R1为氢、甲基、乙基、乙烯基、乙炔基、甲氧基、巯基、巯基甲基、卤素、全氟或部分氟化的（C1-C2）烷基、（C1-C2）烷氧基或（C1-C2）烷基硫基、硝基或腈基（-CN）；R2为一个基团Q1-[Alk1]q-Q2-，其中q为0或1；AIk1为可选择取代的、二价的、直链或支链的C1-C6烷基、或C2-C6烯基或C2-C6炔基基团，可能含有或终止于醚（-O-）、硫醚（-S-）或氨基（-NR）链；Q2为可选择取代的、二价的单环碳环或杂环基团，具有5或6个环原子，或可选择取代的、二价的双环碳环或杂环基团，具有9或10个环原子；Q1为氢、一个可选取代基团，或一个可选择取代的具有3-7个环原子的碳环或杂环基团。
• Arukwe, Joseph; Benneche, Tore; Undheim, Kjell, Journal of the Chemical Society. Perkin transactions I, 1989, p. 255 - 259
  作者：Arukwe, Joseph、Benneche, Tore、Undheim, Kjell

  DOI：——

  日期：——
• ARUKWE, JOSEPH;BENNECHE, TORE;UNDHEIM, KJELL, J. CHEM. SOC. PERKIN TRANS. PT 1,(1989) N, C. 255-259
  作者：ARUKWE, JOSEPH、BENNECHE, TORE、UNDHEIM, KJELL

  DOI：——

  日期：——