1,2,3,6,7,8-hexahydropyrene-1,3,6,8-tetraone | 35147-76-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 菲及其衍生物
• 英文名称: 1,2,3,6,7,8-hexahydropyrene-1,3,6,8-tetraone
• 英文别名: naphthalene aciddianhydride dianhydride；1,3,6,8-pyrenetetrone；1,2,3,6,7,8-hexahydro-1,3,6,8-pyrenetetrone；pyrene-1,3,6,8-tetraone；Pyren-1,3,6,8-tetraon；Pyrene-1,3,6,8(2H,7H)-tetrone；pyrene-1,3,6,8-tetrone
• CAS: 35147-76-3
• 化学式: C₁₆H₈O₄
• 分子量: 264.237
• InChiKey: XRVXSWZJTJOYCE-UHFFFAOYSA-N

物化性质

• 沸点：
  580.4±50.0 °C(Predicted)
• 密度：
  1.575±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  68.3
• 氢给体数：
  0
• 氢受体数：
  4

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Pyrene-1,3,6,8-tetraone
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances

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Section 2. HAZARDS IDENTIFICATION
Classification of the substance or mixture
Classification according to Regulation (EC) No 1272/2008 [EU-GHS/CLP]
Acute toxicity, Oral (Category 4)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Harmful if swallowed.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
Pictogram
Signal word Warning
Hazard statement(s)
H302 Harmful if swallowed.
Precautionary statement(s) none
Supplemental Hazard none
Statements
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R22 Harmful if swallowed.
S-phrase(s) none
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C16H8O4
Molecular Weight : 264,24 g/mol
Component Concentration
Pyrene-1,3,6,8-tetraone
-

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Section 4. FIRST AID MEASURES
Description of first aid measures
General advice
Consult a physician. Show this safety data sheet to the doctor in attendance.
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration. Consult a physician.
In case of skin contact
Wash off with soap and plenty of water. Consult a physician.
In case of eye contact
Flush eyes with water as a precaution.
If swallowed
Never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.
Most important symptoms and effects, both acute and delayed
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Indication of any immediate medical attention and special treatment needed
no data available

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Section 5. FIREFIGHTING MEASURES
Extinguishing media
Suitable extinguishing media
Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide.
Special hazards arising from the substance or mixture
Carbon oxides
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

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Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Use personal protective equipment. Avoid dust formation. Avoid breathing vapors, mist or gas. Ensure
adequate ventilation. Avoid breathing dust.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
Pick up and arrange disposal without creating dust. Sweep up and shovel. Keep in suitable, closed
containers for disposal.
Reference to other sections
For disposal see section 13.

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Section 7. HANDLING AND STORAGE
Precautions for safe handling
Avoid contact with skin and eyes. Avoid formation of dust and aerosols.
Provide appropriate exhaust ventilation at places where dust is formed.Normal measures for preventive fire
protection.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Specific end uses
no data available

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Section 8. EXPOSURE CONTROLS/PERSONAL PROTECTION
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and
at the end of workday.
Personal protective equipment
Eye/face protection
Safety glasses with side-shields conforming to EN166 Use equipment for eye protection tested
and approved under appropriate government standards such as NIOSH (US) or EN 166(EU).
Skin protection
Handle with gloves. Gloves must be inspected prior to use. Use proper glove removal technique
(without touching glove's outer surface) to avoid skin contact with this product. Dispose of
contaminated gloves after use in accordance with applicable laws and good laboratory practices.
Wash and dry hands.
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
Body Protection
Complete suit protecting against chemicals, The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
For nuisance exposures use type P95 (US) or type P1 (EU EN 143) particle respirator.For higher
level protection use type OV/AG/P99 (US) or type ABEK-P2 (EU EN 143) respirator cartridges.
Use respirators and components tested and approved under appropriate government standards
such as NIOSH (US) or CEN (EU).

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Section 9. PHYSICAL AND CHEMICAL PROPERTIES
Information on basic physical and chemical properties
a) Appearance Form: solid
b) Odour no data available
c) Odour Threshold no data available
d) pH no data available
e) Melting point/freezing no data available
point
f) Initial boiling point and no data available
boiling range
g) Flash point no data available
h) Evaporation rate no data available
i) Flammability (solid, gas) no data available
j) Upper/lower no data available
flammability or
explosive limits
k) Vapour pressure no data available
l) Vapour density no data available
m) Relative density no data available
n) Water solubility no data available
o) Partition coefficient: n- log Pow: 0,384
octanol/water
p) Autoignition no data available
temperature
q) Decomposition no data available
temperature
r) Viscosity no data available
s) Explosive properties no data available
t) Oxidizing properties no data available
Other safety information
no data available

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Section 10. STABILITY AND REACTIVITY
Reactivity
no data available
Chemical stability
no data available
Possibility of hazardous reactions
no data available
Conditions to avoid
no data available
Incompatible materials
Strong oxidizing agents
Hazardous decomposition products
Other decomposition products - no data available

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Section 11. TOXICOLOGICAL INFORMATION
Information on toxicological effects
Acute toxicity
no data available
Skin corrosion/irritation
no data available
Serious eye damage/eye irritation
no data available
Respiratory or skin sensitization
no data available
Germ cell mutagenicity
no data available
Carcinogenicity
IARC: No component of this product present at levels greater than or equal to 0.1% is identified as
probable, possible or confirmed human carcinogen by IARC.
Reproductive toxicity
no data available
Specific target organ toxicity - single exposure
no data available
Specific target organ toxicity - repeated exposure
no data available
Aspiration hazard
no data available
Potential health effects
Inhalation May be harmful if inhaled. May cause respiratory tract irritation.
Ingestion Harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes
May cause eye irritation.
Signs and Symptoms of Exposure
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.
Additional Information
RTECS: Not available

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Section 12. ECOLOGICAL INFORMATION
Toxicity
no data available
Persistence and degradability
no data available
Bioaccumulative potential
no data available
Mobility in soil
no data available
Results of PBT and vPvB assessment
no data available
Other adverse effects
no data available

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Section 13. DISPOSAL CONSIDERATIONS
Waste treatment methods
Product
Offer surplus and non-recyclable solutions to a licensed disposal company. Contact a licensed
professional waste disposal service to dispose of this material. Dissolve or mix the material with a
combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber.
Contaminated packaging
Dispose of as unused product.

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Section 14. TRANSPORT INFORMATION
UN number
ADR/RID: - IMDG: - IATA: -
UN proper shipping name
ADR/RID: Not dangerous goods
IMDG: Not dangerous goods
IATA: Not dangerous goods
Transport hazard class(es)
ADR/RID: - IMDG: - IATA: -
Packaging group
ADR/RID: - IMDG: - IATA: -
Environmental hazards
ADR/RID: no IMDG Marine pollutant: no IATA: no
Special precautions for user
no data available

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SECTION 15 - REGULATORY INFORMATION
N/A

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  1,2,3,6,7,8-hexahydropyrene-1,3,6,8-tetraone 在 alkaline aqueous sodium hypochlorite 作用下， 生成 1,4,5,8-萘四甲酸
  参考文献：
  名称：

  Process of preparing naphthalene-1,4,5,8-tetracarboxylic acids and new derivatives of such acids

  摘要：

  公开号：

  US02009596A1
• 作为产物：
  描述：

  2,7-二溴-1,3,6,8(2H,7H)-芘四酮 在 sodium hydroxide 、 锌 作用下， 生成 1,2,3,6,7,8-hexahydropyrene-1,3,6,8-tetraone
  参考文献：
  名称：

  Vollmann et al., Justus Liebigs Annalen der Chemie, 1937, vol. 531, p. 1,38

  摘要：

  DOI：

文献信息

• Crystal Engineering in Supramolecular Polyoxometalate Hybrids through pH Controlled in Situ Ligand Hydrolysis
  作者：Soumyabrata Roy、Dundappa Mumbaraddi、Ankit Jain、Subi J. George、Sebastian C. Peter

  DOI：10.1021/acs.inorgchem.7b02385

  日期：2018.1.16

  A family of five different three-dimensional polyoxometalate (POM) based supramolecular hybrids were synthesized by a hydrothermal route under different pH using a hydrolyzable naphthalene diimide ligand. The mechanism of crystallographic phase variation of the POM-amino pyridine hybrids under different pH was studied through controlled experiments where the final hydrolyzed products were analyzed

  使用可水解的萘二酰亚胺配体，通过在不同pH值下的水热途径合成了五种不同的基于三维多金属氧酸盐（POM）的超分子杂化物家族。通过控制实验研究了不同pH条件下POM-氨基吡啶杂化物的结晶相变机理，通过NMR和单晶X射线衍射分析了最终水解产物。不同的pH条件导致配体的质子化和水解程度发生变化，从而产生不同的相。所有这些都被确定，并且超分子杂种的结构得到了广泛的表征。机理研究证明，只有反应条件才是配体水解的原因，而原位生成的POM物质对此没有任何作用。磁性测量结果证实了POM中过渡金属中心（Mo）的六价氧化态。光学带隙测量表明，这些杂化物本质上是半导体。研究了其中两种化合物对过氧化氢介导的有机小分子的选择性氧化催化作用，发现它们具有很好的活性，对工业上所需的所需产物具有很高的选择性百分数。
• NEW ANTI-CLOSTRIDIUM COMPOUNDS
  申请人：Nederlandse Organisatie voor toegepast-natuurweten schappelijk Onderzoek TNO

  公开号：US20170035750A1

  公开（公告）日：2017-02-09

  The present invention relates to compounds having a backbone structure for use as antibiotic, more specifically use against infections with Gram positive bacteria, preferably Clostridium , more preferably C. difficile or C. perfringens . The compounds of the invention are particularly useful against spores of these bacteria.

  本发明涉及具有用作抗生素的骨架结构的化合物，更具体地用于对抗革兰氏阳性细菌感染，更好地对抗Clostridium，更好地对抗C. difficile或C. perfringens。本发明的化合物特别对这些细菌的孢子具有很好的作用。
• ETHYNYL CONTAINING ELECTRON TRANSPORT DYES AND COMPOSITIONS
  申请人：Roberts R. Ralph

  公开号：US20070107835A1

  公开（公告）日：2007-05-17

  Compounds, compositions, organic electronic devices, and methods for preparing organic electronic devices are described. The compounds of the invention contain at least two carbon-carbon triple bonds and a heteroaromatic ring having at least one —C═N— unit. The compounds can be used as electron transport agents in organic electronic devices such as organic electroluminescent devices.

  本文描述了化合物、组合物、有机电子器件以及制备有机电子器件的方法。该发明的化合物至少包含两个碳-碳三键和一个含有至少一个-C═N-单元的杂环芳香环。这些化合物可用作有机电子器件中的电子传输剂，例如有机电致发光器件。
• PSEUDONUCLEOTIDE COMPRISING AN INTERCALATOR
  申请人：Christensen Ulf Bech

  公开号：US20100121056A1

  公开（公告）日：2010-05-13

  The present invention relates to intercalator pseudonucleotides. Intercalator pseudonucleotides according to the invention are capable of being incorporated into the backbone of a nucleic acid or nucleic acid analogue and they comprise an intercalator comprising a flat conjugated system capable of co-stacking with nucleobases of DNA. The invention also relates to oligonucleotides or oligonucleotide analogues comprising at least one intercalator pseudo nucleotide. The invention furthermore relates to methods of synthesising intercalator pseudo nucleotides and methods of synthesising oligonucleotides or oligonucleotide analogues comprising at least one intercalator pseudonucleotide. In addition, the invention describes methods of separating sequence specific DNA(s) from a mixture comprising nucleic acids, methods of detecting a sequence specific DNA (target DNA) in a mixture comprising nucleic acids and/or nucleic acid analogues and methods of detecting a sequence specific RNA in a mixture comprising nucleic acids and/or nucleic acid analogues. In particular said methods may involve the use of oligonucleotides comprising intercalator pseudo nucleotides. The invention furthermore relates to pairs of oligonucleotides or oligonucleotide analogues capable of hybridising to one another, wherein said pairs comprise at least one intercalator pseudonucleotide. Methods for inhibiting a DNAse and/or a RNAse and methods of modulating transcription of one or more specific genes are also described.

  本发明涉及插入剂伪核苷酸。本发明的插入剂伪核苷酸能够被合并到核酸或核酸类似物的骨架中，并且它们包括一个插入剂，该插入剂包含一个平面共轭系统，能够与DNA的碱基共堆叠。本发明还涉及至少包括一个插入剂伪核苷酸的寡核苷酸或寡核苷酸类似物。此外，本发明还涉及合成插入剂伪核苷酸的方法以及合成至少包括一个插入剂伪核苷酸的寡核苷酸或寡核苷酸类似物的方法。此外，本发明还描述了从包括核酸的混合物中分离序列特异性DNA的方法，检测包括核酸和/或核酸类似物的混合物中的序列特异性DNA（目标DNA）的方法，以及检测包括核酸和/或核酸类似物的混合物中的序列特异性RNA的方法。特别是所述方法可能涉及使用包括插入剂伪核苷酸的寡核苷酸。本发明还涉及能够杂交到一起的寡核苷酸或寡核苷酸类似物的配对，其中所述配对包括至少一个插入剂伪核苷酸。还描述了抑制DNA酶和/或RNA酶的方法以及调节一个或多个特定基因的转录的方法。
• Verfahren zur Herstellung von Naphthalin-1,4,5,8-tetracarbonsäure und deren 1,8-Monoanhydrid in hohem Reinheitsgrad
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0134972A1

  公开（公告）日：1985-03-27

  Verfahren zur Herstellung von Naphthalin-1,4,5,8-tetracarbonsäure (nachstehend als "NTC" bezeichnet) und deren 1,8-Monoanhydrid in hohem Reinheitsgrad, dadurch gekennzeichnet, daß man eine verunreinigte NTC oder ein verunreinigtes NTC-1,8-Monoanhydrid in bekannter Weise als Tetraalkalimetallsalz der NTC in Wasser löst, gegebenenfalls vorhandene unlösliche Verunreinigungen abtrennt, die geklärte Lösung unterhalb von 45°C auf den pH-Wert 4-5 stellt, das hierbei auskristallisierende Dialkalimetallsalz der NTC abtrennt und letzteres durch Behandeln mit einer starken Säure bei 20 bis 100°C in die freie NTC bzw. in das freie NTC-1,8-Monoanhydrid überführt.

  制备高纯度萘-1,4,5,8-四羧酸（以下简称 "NTC"）及其 1,8-单酸酐的工艺，其特征在于：将不纯的 NTC 或不纯的 NTC-1,8- 单酸酐以已知的方式溶解在水中，形成 NTC 的四碱金属盐、分离出存在的任何不溶性杂质，将澄清溶液的 pH 值调节至低于 45°C 的 4-5，分离出在此过程中结晶的 NTC 四碱金属盐，并在 20 至 100°C 的温度下用强酸将后者转化为游离的 NTC 或 NTC-1,8 单酸酐。将后者转化为游离的 NTC-1,8 一酸酐。