2,5-双(二乙氧基磷酰基)噻吩 | 100651-98-7

• 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: 2,5-双(二乙氧基磷酰基)噻吩
• 中文别名: 2,5-双(二乙氧基磷)噻吩
• 英文名称: tetraethyl thiophene-2,5-diphosphonate
• 英文别名: 2,5-bis(diethoxyphosphinyl)thiophene；2,5-Bis(diethoxyphosphoryl)thiophene
• CAS: 100651-98-7
• 化学式: C₁₂H₂₂O₆P₂S
• 分子量: 356.317
• InChiKey: UXDZSFJMBBHZEC-UHFFFAOYSA-N

物化性质

• 沸点：
  172 °C
• 稳定性/保质期：
  遵照规定使用和储存，则不会分解。

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  21
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  99.3
• 氢给体数：
  0
• 氢受体数：
  7

安全信息

• 海关编码：
  2934999090
• 安全说明：
  S24/25

SDS

Name:	2 5-Bis(diethoxyphosphoryl)thiophene Material Safety Data Sheet
Synonym:	None
CAS:	100651-98-7

Section 1 - Chemical Product MSDS Name:2 5-Bis(diethoxyphosphoryl)thiophene Material Safety Data Sheet
Synonym:None

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
100651-98-7	2,5-Bis(diethoxyphosphoryl)thiophene	85	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.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated.
Chronic:
No information found.

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Section 4 - FIRST AID MEASURES
Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
If victim is conscious and alert, give 2-4 cupfuls of milk or water.
Never give anything by mouth to an unconscious person. Get medical aid.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Antidote: None reported.

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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.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.

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Section 6 - ACCIDENTAL RELEASE MEASURES
General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Use with adequate ventilation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed.
Avoid ingestion and inhalation.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

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Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
Engineering Controls:
Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 100651-98-7: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
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: Viscous liquid
Color: clear yellow
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: 172 deg C
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: N/A
Explosion Limits, upper: N/A
Decomposition Temperature:
Solubility in water: soluble in organic solvents
Specific Gravity/Density:
Molecular Formula: C12H22O6P2S
Molecular Weight: 356.29

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stability unknown.
Conditions to Avoid:
Incompatible materials.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 100651-98-7 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
2,5-Bis(diethoxyphosphoryl)thiophene - Not listed by ACGIH, IARC, or NTP.

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Section 12 - ECOLOGICAL INFORMATION
Other No information available.

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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.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 100651-98-7: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 100651-98-7 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 100651-98-7 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

反应信息

• 作为反应物：
  描述：

  2,5-双(二乙氧基磷酰基)噻吩 在 三甲基溴硅烷 、 甲醇 作用下， 以 二氯甲烷 为溶剂， 反应 13.0h， 以100%的产率得到thiophene-2,5-diphosphonic acid
  参考文献：
  名称：

  水合/脱水噻吩-2,5-二膦酸盐金属有机骨架，Mn 2（O 3 P–C 4 H 2 S–PO 3）·2H 2 O的结构研究

  摘要：

  报告了噻吩-2,5-二膦酸2的合成，并报道了其用于原始原始材料Mn 2（O 3 P–C 4 H 2 S–PO 3）·2H 2 O 3的合成。材料3的结构已经由单晶X射线衍射完全解析。Mn 2（O 3 P–C 4 H 2 S–PO 3）·2H 2 O 3在单斜晶胞（空间群P 2）中结晶，具有以下参数：a = 11.60（1）Å，b = 4.943（5）Å，c = 19.614（13）Å，β= 107.22°。化合物3的结构的显着特征是噻吩杂环的取向，该噻吩杂环在两个连续的层中（沿着c）采用两个不同的取向。化合物3的热分析表明，从160至230℃容易除去水分子，而脱水结构在500℃以下仍稳定。可以将3中获得的脱水化合物再水化，得到多晶型化合物Mn 2（O 3 P–C 4 H 2 S–PO 3）·2H 2 O 4，在具有以下参数的正交晶胞（空间群Pnam）中结晶：a = 7.5359（3）Å，b

  DOI：

  10.1021/ic301187y
• 作为产物：
  描述：

  2,5-二溴噻吩 、 亚磷酸三乙酯 在 nickel dibromide 作用下， 以 均三甲苯 为溶剂， 反应 6.5h， 以85%的产率得到2,5-双(二乙氧基磷酰基)噻吩
  参考文献：
  名称：

  水合/脱水噻吩-2,5-二膦酸盐金属有机骨架，Mn 2（O 3 P–C 4 H 2 S–PO 3）·2H 2 O的结构研究

  摘要：

  报告了噻吩-2,5-二膦酸2的合成，并报道了其用于原始原始材料Mn 2（O 3 P–C 4 H 2 S–PO 3）·2H 2 O 3的合成。材料3的结构已经由单晶X射线衍射完全解析。Mn 2（O 3 P–C 4 H 2 S–PO 3）·2H 2 O 3在单斜晶胞（空间群P 2）中结晶，具有以下参数：a = 11.60（1）Å，b = 4.943（5）Å，c = 19.614（13）Å，β= 107.22°。化合物3的结构的显着特征是噻吩杂环的取向，该噻吩杂环在两个连续的层中（沿着c）采用两个不同的取向。化合物3的热分析表明，从160至230℃容易除去水分子，而脱水结构在500℃以下仍稳定。可以将3中获得的脱水化合物再水化，得到多晶型化合物Mn 2（O 3 P–C 4 H 2 S–PO 3）·2H 2 O 4，在具有以下参数的正交晶胞（空间群Pnam）中结晶：a = 7.5359（3）Å，b

  DOI：

  10.1021/ic301187y

文献信息

• The Dimeric Pyramidal Cu ₂ O ₆ (H ₂ O) ₂ Unit – A Structural Invariant of a Homologous Series of Copper‐Layered Phosphonates
  作者：Clarisse Bloyet、Mélissa Roger、Jean‐Michel Rueff、Bernard Raveau、Jean‐François Lohier、Guillaume Rogez、Paul‐Alain Jaffrès

  DOI：10.1002/ejic.201600613

  日期：2016.10

  Two new layered copper hybrid materials, namely, the copper thiophene-2,5-diphosphonate [Cu2(H2O)2(O3P–C4H2S–PO3)] (Pnma; a = 7.525 A, b = 18.292 A, c = 7.520 A) and the copper 3-fluorophenylphosphonate Cu(H2O)PO3–C6H4F (P21/c; a = 14.305 A, b = 7.550 A, c = 7.479 A, β = 92.32°), have been synthesized. These compounds belong to the large homologous Cu(H2O)PO3R/[Cu2(H2O)2(O3P–R–PO3)] series, the structure

  两种新型层状铜杂化材料，即噻吩-2,5-二膦酸铜 [Cu2(H2O)2(O3P–C4H2S–PO3)] (Pnma; a = 7.525 A, b = 18.292 A, c = 7.520 A)并且合成了 3-氟苯基膦酸铜 Cu(H2O)PO3–C6H4F (P21/c; a = 14.305 A, b = 7.550 A, c = 7.479 A, β = 92.32°)。这些化合物属于大型同源 Cu(H2O)PO3R/[Cu2(H2O)2(O3P–R–PO3)] 系列，其结构由孤立的二聚锥体 Cu2O6(H2O)2 单元的存在决定。结合铜阳离子的 Jahn-Teller 效应讨论了 Cu/H2O 摩尔比为 1 在稳定这种结构中的作用。对这两种化合物的多晶样品磁性行为的研究揭示了铜离子之间的反铁磁耦合。
• Krasil'nikova, E. A.; Nevzorova, O. L.; Sentemov, V. V., Journal of general chemistry of the USSR, 1985, vol. 55, # 5, p. 1145 - 1148
  作者：Krasil'nikova, E. A.、Nevzorova, O. L.、Sentemov, V. V.

  DOI：——

  日期：——
• KRASILNIKOVA, E. A.;NEVZOROVA, O. L.;SENTEMOV, V. V., ZH. OBSHCH. XIMII, 1985, 55, N 6, 1283-1287
  作者：KRASILNIKOVA, E. A.、NEVZOROVA, O. L.、SENTEMOV, V. V.

  DOI：——

  日期：——
• US6310093B1
  申请人：——

  公开号：US6310093B1

  公开（公告）日：2001-10-30
• [EN] METHOD OF PREVENTING NEURONAL DEATH<br/>[FR] PROCEDE SERVANT A PREVENIR LA MORT DE NEURONES
  申请人：ELAN PHARMACEUTICALS, INC.

  公开号：WO1999009825A1

  公开（公告）日：1999-03-04

  (EN) Disclosed is a method for preventing neuronal cell death subsequent to an injury to neuronal tissue, particularly central nervous tissue exposed to an ischemic or hypoxic event, to trauma or to a chronic neurodegenerative disorder. The method includes exposing the cells to a glutaminase inhibitor that is relatively impermeable to healthy, intact cell membranes, and which is preferably a specific inhibitor of the form of glutaminase that is widely present in brain tissue.(FR) L'invention concerne un procédé servant à prévenir la mort de cellules neuronales suite à une lésion de tissus neuronaux, en particulier de tissus du système nerveux central exposés à un événement ischémique ou hypoxique, à un traumatisme ou à un trouble neurodégénératif chronique. Le procédé comporte l'étape consistant à exposer les cellules à un inhibiteur de glutaminase qui rend relativement imperméables des membranes cellulaires intactes, saines; cet inhibiteur étant de préférence un inhibiteur spécifique de la forme de glutaminase qui est largement présente dans les tissus cérébraux.