1,4-丁烷二基二-膦酸四乙酯 | 7203-67-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机膦酸及其衍生物
• 中文名称: 1,4-丁烷二基二-膦酸四乙酯
• 中文别名: 四乙基丁烯-1,4-二膦酸
• 英文名称: 1,4-bis(diethoxyphosphinyl)butane
• 英文别名: 1,4-bis(diethoxyphosphoryl)butane；butanediyl-bis-phosphonic acid tetraethyl ester；Butandiyl-bis-phosphonsaeure-tetraaethylester；Butandiyldiphosphonsaeure-tetraaethylester；1,4-Bis-diaethoxyphosphoryl-butan；tetra-ethyl butylene diphosphonate；Tetraethyl butane-1,4-diylbis(phosphonate)
• CAS: 7203-67-0
• 化学式: C₁₂H₂₈O₆P₂
• mdl: MFCD00015135
• 分子量: 330.298
• InChiKey: RODFSBORIZJBLE-UHFFFAOYSA-N

物化性质

• 稳定性/保质期：

  避免与不相容的材料接触。

计算性质

• 辛醇/水分配系数(LogP)：
  0.9
• 重原子数：
  20
• 可旋转键数：
  13
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  71.1
• 氢给体数：
  0
• 氢受体数：
  6

安全信息

• 安全说明：
  S24/25
• 储存条件：
  密封保存，应储存在阴凉干燥的仓库中。

SDS

Name:	Tetraethylbutylene-1 4-diphosphonate 98% Material Safety Data Sheet
Synonym:	None Known
CAS:	7203-67-0

Section 1 - Chemical Product MSDS Name:Tetraethylbutylene-1 4-diphosphonate 98% Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
7203-67-0	Tetraethylbutylene-1,4-diphosphonate	98%	unlisted

Hazard Symbols: None Listed.
Risk Phrases: None Listed.

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Section 3 - HAZARDS IDENTIFICATION
EMERGENCY OVERVIEW
The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May be harmful if absorbed through the skin.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. May be harmful if swallowed.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: In case of contact, immediately flush eyes with plenty of water for at least 15 minutes. Get medical aid.
Skin:
In case of contact, flush skin with plenty of water. Remove contaminated clothing and shoes. Get medical aid if irritation develops and persists. Wash clothing before reuse.
Ingestion:
If swallowed, do not induce vomiting unless directed to do so by medical personnel. Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
If inhaled, remove to fresh air. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Treat symptomatically and supportively.

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Section 5 - FIRE FIGHTING MEASURES
General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Vapors may be heavier than air. They can spread along the ground and collect in low or confined areas. Runoff from fire control or dilution water may cause pollution.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or chemical foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Absorb spill with inert material (e.g. vermiculite, sand or earth), then place in suitable container. Avoid runoff into storm sewers and ditches which lead to waterways. Clean up spills immediately, observing precautions in the Protective Equipment section. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid breathing dust, vapor, mist, or gas. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 7203-67-0: Personal Protective Equipment Eyes: Wear chemical splash goggles.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

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Section 9 - PHYSICAL AND CHEMICAL PROPERTIES

Physical State: Clear liquid
Color: colorless
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water:
Specific Gravity/Density:
Molecular Formula: C12H28O6P2
Molecular Weight: 330.14

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Not currently available.
Conditions to Avoid:
Incompatible materials, excess heat.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Carbon monoxide, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 7203-67-0 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tetraethylbutylene-1,4-diphosphonate - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION

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Section 13 - DISPOSAL CONSIDERATIONS
Dispose of in a manner consistent with federal, state, and local regulations.

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Section 14 - TRANSPORT INFORMATION

IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.

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Section 15 - REGULATORY INFORMATION

European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: Not available.
Risk Phrases:
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
WGK (Water Danger/Protection)
CAS# 7203-67-0: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 7203-67-0 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7203-67-0 is not listed on the TSCA inventory.
It is for research and development use only.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

制备方法与用途

四乙基丁烷-1,4-二基双(磷酸酯)是一种PROTAC连接子，属于烷基链类。它可以用于合成PROTAC分子。

反应信息

• 作为反应物：
  描述：

  1,4-丁烷二基二-膦酸四乙酯 在 盐酸 作用下， 生成 1,4-丁烷二膦酸
  参考文献：
  名称：

  一些脂族二膦四氯化物

  摘要：

  制备并表征了一般类型为Cl 2 PO（CH 2）x POCl 2的二膦四氯化物，完成了x = 1-10的系列。首次注意到这些物质的熔点周期性，这种现象类似于在一系列不含磷的有机化合物中观察到的现象。

  DOI：

  10.1039/j39660000757
• 作为产物：
  描述：

  乙烯基磷酸二乙酯 在 四乙基对甲苯磺酸铵 作用下， 以 甲醇 、 水 为溶剂， 生成 1,4-丁烷二基二-膦酸四乙酯
  参考文献：
  名称：

  Electrolytic Reductive Coupling. IX.¹ Couplings with Representative Michael Acceptors

  摘要：

  DOI：

  10.1021/jo01020a063

文献信息

• Turn-on fluorescence sensor for mono- and di-phosphonic acid derivatives using anthracene-based diamidine and its detection of amidinium-phosphonate and amidinium formation
  作者：Takahiro Kusukawa、Hitoshi Nagano、Keita Nakaguchi、Shota Takeshita、Yuya Harumoto

  DOI：10.1016/j.tet.2017.12.011

  日期：2018.1

  di-phosphonic acid and mono-phosphonic acid derivatives using the anthracene-based diamidine 1 has been investigated. The diamidine 1 forms 1:1 and 1:2 complexes with the di-phosphonic acid and mono-phosphonic acid derivatives, respectively, and showed a blue fluorescence (λem = 432–442 nm) in a DMSO solution. The formation of amidinium-phosphonate (complex formation) and dissociated amidinum (λem = 468 nm as a

  使用基于蒽二脒二膦酸和单-膦酸衍生物的荧光检测1进行了研究。的二脒1种形式1：1和1：2个络合物分别与二膦酸和单-膦酸衍生物，并呈现出蓝色荧光（λ EM 中的DMSO溶液= 432-442纳米）。脒鎓膦酸酯（复合物形成）和离解amidinum的形成（λ EM  = 468纳米作为宽带）通过在荧光波长的差异区分，并且通过DOSY NMR光谱和TD-DFT计算证实。与二am 1形成1：2络合物 提出了在甲基膦酸之间具有另外的分子间氢键的甲基膦酸。
• Organische Phosphorverbindungen XVII. Darstellung von Alkylen-bis-phosphonsäurechloriden und Alkylen-bis-thiophosphonsäurechloriden und deren Reaktion mit G<scp>RIGNARD</scp>-Verbindungen
  作者：Ludwig Maier

  DOI：10.1002/hlca.19650480114

  日期：——

  The synthesis and some physical properties of alkylene bis-(phosphonic dichlorides), Cl2P(O)(CH2)n(O)PCl2, and of alkylene bis-(phosphonothioic dichlorides), Cl2P(S)(CH2)n(S)PCl2, a new class of compounds, are reported. The reactions of alkylene bis-(phosphonothioic dichlorides) with GRIGNARD reagents and of CH3P(S)Br2 with di-GRIGNARD reagents are also described. Some physical properties of several

  亚烷基双-（膦酰二氯），Cl 2 P（O）（CH 2）n（O）PCl 2和亚烷基双-（硫代磷酸二氯），Cl 2 P（S）（CH）的合成及一些物理性质2）n（S）PCl 2是一种新型化合物。还描述了亚烷基双-（硫代硫代二氯化膦）与GRIGNARD试剂的反应以及CH 3 P（S）Br 2与di-GRIGNARD试剂的反应。已经确定了几种二膦二硫化物和两种环状叔膦硫化物的一些物理性质。
• ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200280096A1

  公开（公告）日：2020-09-03

  An electrolyte solution containing a compound represented by the following formula (1): wherein R 101 and R 102 are the same as or different from each other and are each a hydrogen atom, a fluorine atom, or an alkyl group optionally containing a fluorine atom; and R 103 is an alkyl group or an organic group containing an unsaturated carbon-carbon bond. Also disclosed is an electrochemical device and lithium ion secondary battery including the electrolyte solution, and a module including the electrochemical device or lithium ion secondary battery.

  一种电解质溶液，包含由以下化学式（1）表示的化合物：其中R101和R102彼此相同或不同，分别为氢原子、氟原子或含有氟原子的烷基基团；R103为烷基基团或含有不饱和碳-碳键的有机基团。还公开了包括该电解质溶液的电化学器件和锂离子二次电池，以及包括电化学器件或锂离子二次电池的模块。
• NON-AQUEOUS LIQUID ELECTROLYTE, ELECTRICITY STORAGE DEVICE USING SAME, AND PHOSPHORUS COMPOUND USED THEREIN
  申请人：UBE INDUSTRIES, LTD.

  公开号：US20170275311A1

  公开（公告）日：2017-09-28

  The present invention is concerned with a nonaqueous electrolytic solution having an electrolyte salt dissolved in a nonaqueous solvent, the nonaqueous electrolytic solution containing a compound represented by the following general formula (X), in which a polar group (X) is bound to a phosphorus atom (P), and capable of improving electrochemical characteristics in a broad temperature range; an energy storage device using the same; and a novel compound. In the formula, R 10 and R 20 are each independently an organic group selected from the group consisting of an alkyl group having 1 to 8 carbon atoms, an alkenyl group having 2 to 6 carbon atoms, an alkynyl group having 3 to 6 carbon atoms, and an aryl group having 6 to 12 carbon atoms, or a lithium atom; and X is a polar group (i) containing a —C(═O) group, a —P(═O) group, or an —S(═O) 2 group, a polar group (ii) containing a —CN group or an alkyl group having 1 to 6 carbon atoms, in which a part of hydrogen atoms is substituted with a fluorine atom, or a 4- to 7-membered ring polar group (iii) containing a —C(═O)—O— group or a —C(═O)—N— group, provided that when X is a 4- to 7-membered ring polar group (iii) containing a —C(═O)—N— group, at least one of R 10 and R 20 is a lithium atom.

  本发明涉及一种非水电解质溶液，其中电解质盐溶解在非水溶剂中，该非水电解质溶液含有以下通式（X）所代表的化合物，其中极性基（X）与磷原子（P）结合，并能够改善广泛温度范围内的电化学特性；使用该非水电解质溶液的储能装置；以及一种新化合物。在该公式中，R10和R20分别独立地是从包括具有1至8个碳原子的烷基基团、具有2至6个碳原子的烯基基团、具有3至6个碳原子的炔基基团和具有6至12个碳原子的芳基基团或锂原子中选择的有机基团；X是一个极性基（i），其中包含一个—C(═O)基团、一个—P(═O)基团或一个—S(═O)2基团，一个极性基（ii），其中包含一个—CN基团或一个具有1至6个碳原子的烷基基团，其中部分氢原子被氟原子取代，或一个4至7环极性基（iii），其中包含一个—C(═O)—O—基团或一个—C(═O)—N—基团，但当X是一个包含一个—C(═O)—N—基团的4至7环极性基（iii）时，至少一个R10和R20是锂原子。
• ELECTROLYTE FOR LITHIUM ION SECONDARY BATTERY, LITHIUM ION SECONDARY BATTERY, AND MODULE
  申请人：DAIKIN INDUSTRIES, LTD.

  公开号：US20200203769A1

  公开（公告）日：2020-06-25

  An electrolyte solution for a lithium ion secondary battery, containing a compound (1) represented by the following formula (1): wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm. Also disclosed is an electrolyte solution for a lithium ion secondary battery, containing an imidazolium cation (1-1) represented by the following formula (1-1), a bis(oxalato)borate anion, and a hexafluorophosphate anion, the formula (1-1) being: wherein R 1 and R 2 are each independently a C1-C4 alkyl group optionally containing an ether bond, and wherein chloride ion is present at a concentration of 1.0×10 −6 to 1.0×10 3 ppm.

  一种用于锂离子二次电池的电解质溶液，包含一种由以下化学式（1）表示的化合物（1）：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。还公开了一种用于锂离子二次电池的电解质溶液，包含由以下化学式（1-1）表示的咪唑阳离子（1-1），一种双（草酸盐）硼酸根离子和一种六氟磷酸根离子，其中化学式（1-1）为：其中R1和R2分别独立地是含有醚键的C1-C4烷基基团，并且氯化物离子的浓度为1.0×10-6至1.0×103ppm。