4,6-二苯基噻吩[3,4-D]-1,3-二氧代-2-酮-5,5-二氧化物 | 54714-11-3

• 物质功能分类: 医药中间体 - 杂环化合物 - 噻吩类化合物
• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 4,6-二苯基噻吩[3,4-D]-1,3-二氧代-2-酮-5,5-二氧化物
• 中文别名: 4,6-二苯基噻吩[3,4-d]-1,3-二氧-2-酮-5,5-二氧；4,6-二苯基噻吩[3,4-d]-1,3-二氧代-2-酮-5,5-二氧化物
• 英文名称: 4,6-Diphenylthieno<3,4-d>-1,3-dioxol-2-on-5,5-dioxid
• 英文别名: 2-Oxo-4,6-diphenylthieno<3,4-d>-1,3-dioxol-5,5-dioxid；4,6-diphenylthieno-[3,4-d]-1,3-dioxol-2-one-5,5-dioxide；4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one 5,5-dioxide；5,5-dioxo-4,6-diphenylthieno[3,4-d][1,3]dioxol-2-one
• CAS: 54714-11-3
• 化学式: C₁₇H₁₀O₅S
• mdl: MFCD00040564
• 分子量: 326.329
• InChiKey: UEOYFCIGZWQXTP-UHFFFAOYSA-N

物化性质

• 熔点：
  270-275°C
• 沸点：
  543.6±60.0 °C(Predicted)
• 密度：
  1.55±0.1 g/cm3(Predicted)
• 稳定性/保质期：
  如果按照规格使用和储存，则不会分解，没有已知的危险反应。

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  23
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 危险品标志：
  Xi
• 危险类别码：
  R36/37/38
• 海关编码：
  2932999099
• 安全说明：
  S26,S36,S37/39

SDS

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Section I.Chemical Product and Company Identification
Chemical Name
4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one
5,5-Dioxide
Portland OR
Synonym
Not available.
Chemical Formula
C 17 H 10 O 5 S
CAS Number
54714-11-3
(International)

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Section II. Composition and Information on Ingredients
Toxicology Data
Chemical Name CAS Number Percent (%) TLV/PEL
4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one 54714-11-3 ---------- Not available. Not available.
5,5-Dioxide

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Section III. Hazards Identification
Acute Health Effects
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system . Inflam m ation of
the eye is characterized by redness, w atering, and itching. Skin inflam m ation is characterized by itching, scaling,
reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and alw ays w ear proper protective
equipment when handling this compound.
Chronic Health Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY : Not available.
There is no know n effect from chronic exposure to this product. Repeated or prolonged exposure to this com pound is
not known to aggravate existing medical conditions.

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Section IV. First Aid Measures
Eye Contact
C heck for and rem ove any contact lenses. D O N O T use an eye ointm ent. Flush eyes w ith running w ater for a m inim um
of 15 m inutes, occasionally lifting the upper and low er eyelids. Seek m edical attention. Treat sym ptom atically and
supportively.
Skin Contact
A fter contact w ith skin, w ash im m ediately w ith plen ty of w ater. G ently and thoroughly w ash the contam inated skin w ith
running w ater and non-abrasive soap. Be particularly careful to clean folds, crevices, creases and groin. C over the
irritated skin w ith an em ollient. Seek m edical attention. Treat sym ptom atically and supportively. W ash any
contaminated clothing before reusing.
Inhalation
If the victim is not breathing, perform artificial respiration. Loosen tight clothing such as a collar, tie, belt or w aistband.
If breathing is difficult, oxygen can be administered. Seek medical attention. Treat symptomatically and supportively.
Ingestion
D O N O T induce vom iting. Loosen tight clothing such as a collar, tie, belt, or w aistband. If the victim is not breathing,
adm inister artificial respiration. Exam ine the lips and m outh to ascertain w hether the tissues are dam aged, a possible
indication that the toxic m aterial w as ingested; th e absence of such signs, how ever, is not conclusive. Seek im m ediate
medical attention and, if possible, show the chemical label. Treat symptomatically and supportively.

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Section V. Fire and Explosion Data
Auto-Ignition
Flammability Not available.
Combustible.
Flash Points Flammable Limits
Not available.
Not available.
Combustion Products
These products are toxic carbon oxides (CO, CO 2), sulfur oxides (SO x ).
Fire Hazards
No specific information is available regarding the flammability of this compound in the presence of various materials.
Explosion Hazards
Risks of explosion of the product in presence of mechanical impact: Not available.
Risks of explosion of the product in presence of static discharge: Not available.
No additional information is available regarding the risks of explosion.
Fire Fighting Media
SMALL FIRE: Use DRY chemicals, CO 2, water spray or foam.
and Instructions LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.
Continued on Next Page
D22pp 4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one
5,5-Dioxide

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Section VI. Accidental Release Measures
Spill Cleanup
Irritating material.
Instructions In case of a spill and/or a leak, alw ays shut off any sources of ignition, ventilate the area, and exercise caution. U se a
shovel to put the m aterial into a convenient w aste disposal container. Finish cleaning the spill by rinsing any
contam inated surfaces w ith copious am ounts of w ater. C onsult federal, state, and/or local authorities for assistance on
disposal.

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Section VII. Handling and Storage
Handling and Storage
IRRITA N T. K eep aw ay from heat and sources of ignition. M echanical exhaust required. W hen not in use, tightly seal the
container and store in a dry, cool place. A void excessive heat and light. D O N O T ingest. D O N O T breathe dust. In case
Information
of insufficient ventilation, w ear suitable respiratory equipm ent. If ingested, seek m edical advice im m ediately and show
the container or the label. Treat symptomatically and supportively. Avoid contact with skin and eyes.
Always store away from incompatible compounds such as oxidizing agents, metals, acids.

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Section VIII. Exposure Controls/Personal Protection
Engineering Controls
U se process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below
recom m ended exposure lim its. If user operations generate dust, fum e or m ist, use ventilation to keep exposure to
airborne contaminants below the exposure limit.
Personal Protection
Splash goggles. Lab coat. D ust respirator. Boots. G loves. A M SH A /N IO SH approved respirator m ust be used to avoid
inhalation of the product. Suggested protective clothing m ight not be sufficient; consult a specialist BEFO RE handling
this product.
Exposure Limits
Not available.

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Section IX. Physical and Chemical Properties
Physical state @ 20°C Solubility
Yellow powder.
Not available.
Specific Gravity
Not available.
Molecular Weight Partition Coefficient
326.33 Not available.
Boiling Point Vapor Pressure
Not available. Not available.
Melting Point Vapor Density
230 to 290°C (446 to 554°F) Not available.
Refractive Index Volatility
Not available. Not available.
Critical Temperature Odor
Not available. Not available.
Viscosity Taste
Not available. Not available.

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Section X. Stability and Reactivity Data
Stability

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This material is stable if stored under proper conditions. (See Section VII for instructions)
Conditions of Instability
Avoid excessive heat and light.
Incompatibilities
Reactive with oxidizing agents, bases, acids.

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Section XI. Toxicological Information
RTECS Number
Not available.
Routes of Exposure Eye contact. Inhalation. Ingestion. Skin contact.
Toxicity Data
Not available.
Chronic Toxic Effects CARCINOGENIC EFFECTS : Not available.
MUTAGENIC EFFECTS : Not available.
TERATOGENIC EFFECTS : Not available.
DEVELOPMENTAL TOXICITY : Not available.
There is no know n effect from chronic exposure to this product. Repeated or prolonged exposure to this com pound is
not known to aggravate existing medical conditions.
Acute Toxic Effects
Irritating to eyes and skin on contact. Inhalation causes irritation of the lungs and respiratory system . Inflam m ation of
the eye is characterized by redness, w atering, and itching. Skin inflam m ation is characterized by itching, scaling,
reddening, or, occasionally, blistering. Follow safe industrial hygiene practices and alw ays w ear proper protective
equipment when handling this compound.
Continued on Next Page
4,6-Diphenylthieno[3,4-d]-1,3-dioxol-2-one
5,5-Dioxide

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Section XII. Ecological Information
Ecotoxicity
Not available.
Environmental Fate
Not available.

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Section XIII. Disposal Considerations
Waste Disposal
Recycle to process, if possible. C onsult your local or regional authorities. You m ay be able to dissolve or m ix m aterial
w ith a com bustible solvent and burn in a chem ical incinerator equipped w ith an afterburner and scrubber system .
Observe all federal, state, and local regulations when disposing of this substance.

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Section XIV. Transport Information
DOT Classification
Not a DOT controlled material (United States).
PIN Number
Not applicable.
Proper Shipping Name
Not applicable.
Packing Group (PG)
Not applicable.
DOT Pictograms

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Section XV. Other Regulatory Information and Pictograms
TSCA Chemical Inventory T h is p r o d u c t is NOT o n t h e E P A T o x ic S u b s t a n c e s C o n t r o l A c t (T S C A ) in v e n t o r y . T h e f o llo w in g n o t ic e s a r e r e q u ir e d b y 4 0
(EPA) CFR 720.36 (C) for those products not on the inventory list:
(i) These products are supplied solely for use in research and developm ent by or under the supervision of a technically
qualified individual as defined in 40 CFR 720.0 et sec.
(ii) The health risks of these products have not been fully determ ined. A ny inform ation that is or becom es available w ill
be supplied on an MSDS sheet.
WHMIS Classification
WHMIS CLASS D-2A: Material causing other toxic effects (VERY TOXIC).
(Canada)
EINECS Number (EEC) 259-301-2
EEC Risk Statements
R36/37/38- Irritating to eyes, respiratory system and skin.

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  4,6-二苯基噻吩[3,4-D]-1,3-二氧代-2-酮-5,5-二氧化物 在 苯胺 作用下， 以 四氢呋喃 为溶剂， 生成 1,1-二苯基脲
  参考文献：
  名称：

  Cyclic esters of 3,4-dihydroxy-thiophene-1,1-dioxide compounds and

  摘要：

  3,4-二羟基噻吩-1,1-二氧化物的环酯和相应的环戊二烯酮化合物，以及它们的制备。这些化合物可以用作光气、硫代光气或草酸二氯酰的“固态形式”，或者用作酰基转移剂。

  公开号：

  US04122090A1
• 作为产物：
  描述：

  光气 、 2,5-二苯基-3-氧代-4-羟基-2,3-二氢噻吩-1,1-二氧化物 以 四氢呋喃 为溶剂， 生成 4,6-二苯基噻吩[3,4-D]-1,3-二氧代-2-酮-5,5-二氧化物
  参考文献：
  名称：

  Cyclic esters of 3,4-dihydroxy-thiophene-1,1-dioxide compounds and

  摘要：

  3,4-二羟基噻吩-1,1-二氧化物的环酯和相应的环戊二烯酮化合物，以及它们的制备。这些化合物可以用作光气、硫代光气或草酸二氯酰的“固态形式”，或者用作酰基转移剂。

  公开号：

  US04122090A1
• 作为试剂：
  描述：

  二甲基氯甲基苯基硅烷 在 吡啶 、 4,6-二苯基噻吩[3,4-D]-1,3-二氧代-2-酮-5,5-二氧化物 、 四甲基乙二胺 、 氨 、 仲丁基锂 、 三乙胺 、 sodium iodide 作用下， 以 丙酮 为溶剂， -78.0~135.0 ℃ 、7.5 MPa 条件下， 反应 288.17h， 生成 rac-dimethylphenyl<1-(phenylacetamido)ethyl>silane
  参考文献：
  名称：

  Synthesis and enantioselective enzymatic hydrolysis of rac-dimethylphenyl[1-phenylacetamido)ethyl]silane

  摘要：

  Racemic dimethylphenyl[1-(phenylacetamido)ethyl]silane [rac-5] has been made by a four-step synthesis starting from (chloromethyl)dimethylphenylsilane [PhMe2SiCH2Cl (1) --> PhMe2SiCH(Cl)Me (rac-2) --> PhMe2SiCH(I)Me (rac-3) --> PhMe2SiCH(NH2)Me (rac-4) --> PhMe2SiCH[N(H)C(O)CH2Ph]Me (rac-5); total yield 41%]. Enantioselective enzymatic hydrolysis of rac-5, catalyzed by immobilized penicillin G acylase (E.C. 3.5.1.11) from Escherichia coli 5K (pHM 12), gave (R)-(1-aminoethyl)dimethylphenylsilane [(R)-4] in 40% yield with an enantiomeric purity of 92% ee.

  DOI：

  10.1016/0022-328x(91)83279-d

文献信息

• Hydrolytically stabilized polycarbonates
  申请人：GENERAL ELECTRIC COMPANY

  公开号：EP0177792A1

  公开（公告）日：1986-04-16

  Thermoplastic composition exhibiting improved hydrolytic stability comprised of in physical admixture at least one aromatic carbonate polymer and an effective hydrolytic stabilizing amount of at least one compound represented by the general formula wherein R and R' are independently selected from hydrogen, monovalent hydrocarbon radicals, and monovalent hydrocarbonoxy radicals.

  具有更好水解稳定性的热塑性组合物，其物理混合物包括至少一种芳香族碳酸酯聚合物和有效水解稳定量的至少一种通式所代表的化合物 其中 R 和 R'独立选自氢、一价烃基和一价烃氧基。
• AMINE EPOXY RESIN CURING AGENT, GAS BARRIER EPOXY RESIN COMPOSITION COMPRISING THE CURING AGENT, COATING AGENT, AND ADHESIVE AGENT FOR LAMINATE
  申请人：Mitsubishi Gas Chemical Company, Inc.

  公开号：EP2149586A1

  公开（公告）日：2010-02-03

  The present invention provides an amine based epoxy resin curing agent containing an epoxy resin and an amine compound capable of imparting a high gas barrier performance and a long pot life, in addition to excellent performances which an epoxy resin conventionally possesses, and an epoxy resin composition with a high gas barrier performance and a long pot life, which contains the subject curing agent. Also, the present invention provides an adhesive for laminate with excellent adhesiveness to various polymers, papers, metals, etc., which contains, as a main component, an epoxy resin composition containing an amine based resin curing agent with a high gas barrier performance and a long pot life. The amine based epoxy resin curing agent of the present invention is composed of a reaction product of the following (A), (B) and (D) or a reaction product of the following (A), (B), (C) and (D): (A) m-xylylenediamine or p-xylylenediamine, (B) a polyfunctional compound having at least one acyl group, which is capable of forming an amide group site through a reaction with a polyamine and forming an oligomer, (C) a monovalent carboxylic acid having from 1 to 8 carbon atoms and/or its derivative, and (D) a functional compound having at least one carbonate site represented by the formula (2), which is capable of forming a carbamate site represented by the formula (1) through a reaction with a polyamine:

  本发明提供了一种含有环氧树脂和胺化合物的胺基环氧树脂固化剂，该固化剂除了具有环氧树脂通常具有的优异性能外，还能赋予其较高的气体阻隔性能和较长的固化寿命；本发明还提供了一种具有较高气体阻隔性能和较长的固化寿命的环氧树脂组合物，该组合物含有上述固化剂。此外，本发明还提供了一种对各种聚合物、纸张、金属等具有优异粘合性的层压板用粘合剂，该粘合剂的主要成分是环氧树脂组合物，其中含有具有高气体阻隔性能和长固化寿命的胺基树脂固化剂。 本发明的胺基环氧树脂固化剂由以下（A）、（B）和（D）的反应产物或以下（A）、 （B）、（C）和（D）的反应产物组成： (A) 间羟二胺或对羟二胺、 (B) 具有至少一个酰基的多官能团化合物，该化合物可通过与多胺反应形成酰胺基 位点并形成低聚物、 (C) 具有 1 至 8 个碳原子的一价羧酸和/或其衍生物，以及 (D) 具有至少一个由式（2）表示的碳酸盐位点的官能团化合物，它能通过与多胺反应形成由式（1）表示的氨基甲酸酯位点：
• Peter, Martin G.; Boldt, Peter C.; Niederstein, Yvonne, Liebigs Annalen der Chemie, 1990, # 9, p. 863 - 869
  作者：Peter, Martin G.、Boldt, Peter C.、Niederstein, Yvonne、Peter-Katalinic, Jasna

  DOI：——

  日期：——
• Schmidt,H. et al., Chemische Berichte, 1979, vol. 112, p. 727 - 733
  作者：Schmidt,H. et al.

  DOI：——

  日期：——
• Wild, Hanno; Mohrs, Klaus; Niewoehner, Ulrich, Liebigs Annalen der Chemie, 1986, # 9, p. 1548 - 1567
  作者：Wild, Hanno、Mohrs, Klaus、Niewoehner, Ulrich、Steglich, Wolfgang

  DOI：——

  日期：——