硫代磷基-pmmh-3树枝状聚合物,代1.0 | 173612-58-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机硫代磷酸及其衍生物
• 中文名称: 硫代磷基-pmmh-3树枝状聚合物,代1.0
• 中文别名: 硫代磷基-PMMH-3树枝状聚合物,代1.0
• 英文名称: tris(4-N'-dichloro(thio)phosphonyl)-(N'-methyldiazobenzene)monophosphate
• 英文别名: starburst dendrimer, generation number G1；N-[[4-bis[4-[[dichlorophosphinothioyl(methyl)hydrazinylidene]methyl]phenoxy]phosphinothioyloxyphenyl]methylideneamino]-N-dichlorophosphinothioylmethanamine
• CAS: 173612-58-3
• 化学式: C₂₄H₂₄Cl₆N₆O₃P₄S₄
• 分子量: 909.37
• InChiKey: GHSPLWJCBVPQQG-UHFFFAOYSA-N

物化性质

• 沸点：
  825.2±75.0 °C(Predicted)
• 密度：
  1.60±0.1 g/cm3(Predicted)
• 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)：
  15.2
• 重原子数：
  47
• 可旋转键数：
  15
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  203
• 氢给体数：
  0
• 氢受体数：
  13

安全信息

• 安全说明：
  S24/25
• 储存条件：
  存放在阴凉干燥处即可。

SDS

Name:	Thiophosphoryl-PMMH-3 Dendrimer Generation 1.0 Material Safety Data Sheet
Synonym:	None Known
CAS:	173612-58-3

Section 1 - Chemical Product MSDS Name:Thiophosphoryl-PMMH-3 Dendrimer Generation 1.0 Material Safety Data Sheet
Synonym:None Known

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Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS

CAS#	Chemical Name	content	EINECS#
173612-58-3	Thiophosphoryl-PMMH-3 Dendrimer, Gener	100	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, immediately flush skin with plenty of water.
Remove contaminated clothing and shoes. Get medical aid. 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.
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:
Vacuum or sweep up material and place into a suitable disposal container. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions.
Provide ventilation.

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Section 7 - HANDLING and STORAGE
Handling:
Wash thoroughly after handling. Minimize dust generation and accumulation. 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.
Store under nitrogen.

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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# 173612-58-3: 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: Powder
Color: Not available.
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: Insoluble.
Specific Gravity/Density:
Molecular Formula: C24H24Cl6N6O3P4S4
Molecular Weight: 909.37

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Section 10 - STABILITY AND REACTIVITY
Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Dust generation.
Incompatibilities with Other Materials:
Strong oxidizing agents.
Hazardous Decomposition Products:
Hydrogen chloride, nitrogen oxides, carbon monoxide, oxides of sulfur, oxides of phosphorus, carbon dioxide.
Hazardous Polymerization: Will not occur.

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Section 11 - TOXICOLOGICAL INFORMATION
RTECS#:
CAS# 173612-58-3 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Thiophosphoryl-PMMH-3 Dendrimer, Generation 1.0 - 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
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
IMO
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing Group:
RID/ADR
Shipping Name: Not regulated.
Hazard Class:
UN Number:
Packing group:

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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# 173612-58-3: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 173612-58-3 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 173612-58-3 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

上下游信息

• 上游原料

  中文名称	英文名称	CAS号	化学式	分子量
  三(4-甲酰基苯氧基)硫代磷酰	O,O,O-tris(4-formylphenyl) phosphorothioate	159213-45-3	C21H15O6PS	426.386

反应信息

• 作为反应物：
  描述：

  硫代磷基-pmmh-3树枝状聚合物,代1.0 在 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 硫代磷酰基-苯氧基甲基(甲基肼)树枝状聚合物,1.5代
  参考文献：
  名称：

  Launay, Nathalie; Caminade, Anne-Marie; Lahana, Roger, Angewandte Chemie, 1994, vol. 106, # 15/16, p. 1682 - 1684

  摘要：

  DOI：
• 作为产物：
  描述：

  4-羟基苯甲醛钠盐 在 三氯硫磷 作用下， 生成 硫代磷基-pmmh-3树枝状聚合物,代1.0
  参考文献：
  名称：

  MALDI TOF Mass Spectrometry for the Characterization of Phosphorus-Containing Dendrimers. Scope and Limitations

  摘要：

  使用基质辅助激光解吸电离飞行时间质谱（MALDI-TOFMS）对中性含磷树枝状分子外围的醛基进行了分析，分析结果可追溯到第四代。虽然通常可以观察到预期的准分子离子，但质谱图、碎片和与原始骨架相关的加合物的存在与样品制备（基质的性质：2-5-二羟基苯甲酸（2.5-DHB）、1,8-二羟基-9[10H]-蒽酮（二萘酚）、6-氮杂硫代胸苷、2,4,6-三羟基苯乙酮、7-羟基香豆素或2-蒽胺，以及碱金属盐的添加）高度相关。添加LiI的二萘酚基质提供了更温和的条件；然而，对于更高代数的树枝状分子，仍然观察到大量碎片。通过结合SEC、NMR和MALDI-TOFMS对紫外线预照射树枝状分子进行研究，可以推测MALDI中发生碎片化是由于树枝状分子在337 nm处具有相对较强的吸收。碎片化和加合物的形成涉及氮-氮键断裂、亚胺复分解反应以及醛基与内部亚氨基的反应。

  DOI：

  10.1021/ac0003854

文献信息

• A new way for the internal functionalization of dendrimers
  作者：Marjorie Séverac、Julien Leclaire、Pierre Sutra、Anne-Marie Caminade、Jean-Pierre Majoral

  DOI：10.1016/j.tetlet.2004.02.120

  日期：2004.4

  P(O)Cl2 end group of phosphorus dendrimers, followed by the grafting of hydroxybenzaldehyde on the remaining P–Cl functions, and the subsequent growing of the dendrimer from the aldehyde is described. Allyl and pyrene derivatives have been grafted in this way inside the dendrimers during their growing. This constitutes a new way for the internal functionalization of dendrimers.

  胺和酰肼与磷树枝状聚合物的每个P（S）Cl 2或P（O）Cl 2端基上只有一个Cl的选择性反应，然后将羟基苯甲醛接枝到其余的P–Cl官能团上，并随后生长描述了来自醛的树枝状聚合物的结构。烯丙基和pyr衍生物在其生长过程中已以这种方式接枝在树枝状聚合物中。这构成了树枝状聚合物内部功能化的新途径。
• Grafting of Tetraazamacrocycles on the Surface of Phosphorus-Containing Dendrimers
  作者：Delphine Prévôté、Bruno Donnadieu、Marcial Moreno-Mañas、Anne-Marie Caminade、Jean-Pierre Majoral

  DOI：10.1002/(sici)1099-0690(199907)1999:7<1701::aid-ejoc1701>3.0.co;2-6

  日期：1999.7

  three and twelve macrocycles, respectively) and on the model compound PhCHNN(Me)P(S)Cl2. Depending on the nature of the macrocycle, the reaction induces the formation of five-membered rings (diazaphospholanes) or of six-membered rings (diazaphosphorinanes). The structure of the adducts is deduced from 13C NMR spectra and from X-ray diffraction studies of the reaction products (8, 9, 10) of the model

  在磷表面上接枝了三种类型的四氮杂大环（1,4,8,11-四氮杂环十四烷，1,4,8,12-四氮杂环十五烷和1,4,8,11-四氮杂环十四烷-5,7-二酮）。包含具有P（S）Cl 2端基的树状聚合物（对于第1代和第3代：这分别对应于三个和十二个大环），并在模型化合物PhCHNN（Me）P（S）Cl 2上。取决于大环的性质，该反应诱导形成五元环（二氮杂膦酰基）或六元环（二氮杂膦酰基）。该加合物的结构由推导出13 C NMR谱，然后从反应产物（X射线衍射研究8，9，10）的模型化合物。
• Dendrimers with N,N-Disubstituted Hydrazines as End Groups, Useful Precursors for the Synthesis of Water-Soluble Dendrimers Capped with Carbohydrate, Carboxylic or Boronic Acid Derivatives
  作者：Rosa-Marı́a Sebastián、Germinal Magro、Anne-Marie Caminade、Jean-Pierre Majoral

  DOI：10.1016/s0040-4020(00)00576-7

  日期：2000.8

  The first synthesis of dendrimers possessing N,N-disubstituted hydrazines as end groups allows us to carry out a versatile reactivity. Carbohydrate, carboxylic acid and boronic acid derivatives have been linked to the surface of the dendrimer in a very simple fashion, using the Schiff condensation. The stability of the resulting functionalized dendrimers has been checked: those linked to carboxylic

  具有N，N-二取代肼作为端基的树枝状聚合物的首次合成使我们能够进行多种反应。使用席夫缩合，以非常简单的方式将碳水化合物，羧酸和硼酸衍生物连接至树枝状聚合物的表面。已经检查了所得官能化树枝状聚合物的稳定性：与羧酸衍生物连接的那些在水中稳定超过7个月，证明了bonds键和树枝状聚合物的整个骨架都具有很高的稳定性。
• Phosphorus-Containing Dendrimers. Easy Access to New Multi-Difunctionalized Macromolecules
  作者：Nathalie Launay、Michael Slany、Anne-Marie Caminade、Jean Pierre Majoral

  DOI：10.1021/jo960045b

  日期：1996.1.1

  Phosphorus-containing dendrimers 1-[G'(1)]-1-[G'(4)] (generation 1 to generation 4) possessing terminal aldehyde groups reacted with a variety of hydrazino compounds. Addition of hydrazine itself to 1-[G'(1)]-1-[G'(4)] afforded the corresponding dendrimers 2-[G(1)]-2-[G(4)] with hydrazono groups at the periphery. Addition of methylhydrazine to 1-[G'(1)], 1-[G'(4)] gave the dendrimers 3-[G(1)], 3-[G(4)]

  具有末端醛基的含磷树枝状聚合物1- [G'（1）]-1- [G'（4）]（第1代至第4代）与各种肼基化合物反应。将肼本身加至1- [G'（1）]-1- [G'（4）]，得到相应的树枝状聚合物2- [G（1）]-2- [G（4）]，在其上具有基。周边。将甲基肼加到1- [G'（1）]，1- [G'（4）]中得到树枝状聚合物3- [G（1）]，3- [G（4）]。1- [G'（1）]-1- [G'（4）]与1-氨基-4-（2-羟乙基）哌嗪之间的席夫反应导致树枝状聚合物5- [G（1）]-5- [G（4）]拥有多达48个醇链末端。用芴酮hydr处理1- [G'（1）]，1- [G'（3）]产生大分子7- [G（1）]，7- [G（3）]，而1的反应-[G'（1）]，1- [G'（2）]，1- [G'（4）]与4-氨基苯并-15-冠-5一起得到大分子9- [G（1）]， 9- [G（2）]，9-
• Synthesis and Photochemical Behavior of Phosphorus Dendrimers Containing Azobenzene Units within the Branches and/or on the Surface
  作者：Rosa-María Sebastián、Jean-Claude Blais、Anne-Marie Caminade、Jean-Pierre Majoral

  DOI：10.1002/1521-3765(20020503)8:9<2172::aid-chem2172>3.0.co;2-g

  日期：2002.5.3

  We describe the synthesis of three series of phosphorus-containing dendrimers having azobenzene derivatives specifically placed at some generations in the interior and/or on the surface. The largest compound obtained possesses 48 azobenzene groups on the surface. Irradiation at 350 nm induces isomerization of the azobenzene groups from the E form to the Z form, whatever their location. The thermal

  我们描述了三个系列的含偶氮苯衍生物的含磷树枝状大分子的合成，这些衍生物专门放置在内部和/或表面的某些世代。得到的最大化合物在表面上具有48个偶氮苯基。在350 nm处进行辐照会导致偶氮苯基团从E形变为Z形，无论其位置如何。在所有情况下，在黑暗中于室温下观察到热反异构化为E形式。在几种情况下，研究了这种Z-> E反向异构化的动力学。当偶氮苯基团连接到树枝状大分子的表面上时，该速率不取决于偶氮苯单元的数目或生成量。当偶氮苯基团位于树枝状聚合物的框架内时，观察到不同的行为。