3-氯-2,3-双(4-甲氧基苯基)丙烯醛 | 19881-70-0

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 中文名称: 3-氯-2,3-双(4-甲氧基苯基)丙烯醛
• 中文别名: (Z)-3-氯-2,3-双(4-甲氧苯基)丙-2-烯醛；3-氯-2,3-双(4-甲氧苯基)丙烯醛；(Z)-3-氯-2,3-双(4-甲氧苯基)丙烯醛
• 英文名称: (Z)-3-chloro-2,3-bis(4-methoxyphenyl)propenal
• 英文别名: (Z)-3-Chloro-2,3-bis(4-methoxyphenyl)acrylaldehyde；(Z)-3-chloro-2,3-bis(4-methoxyphenyl)prop-2-enal
• CAS: 19881-70-0
• 化学式: C₁₇H₁₅ClO₃
• 分子量: 302.757
• InChiKey: VNRALGZMXHFBPG-WUKNDPDISA-N

物化性质

• 熔点：
  160-163°C
• 沸点：
  468.1±45.0 °C(Predicted)
• 密度：
  1.198±0.06 g/cm3(Predicted)
• 溶解度：
  DMSO：可溶5mg/mL，澄清（加热）

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  21
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  3

安全信息

• 危险等级：
  IRRITANT
• 海关编码：
  2913000090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : Windorphen
: SML0899
REACH No. : A registration number is not available for this substance as the substance
or its uses are exempted from registration, the annual tonnage does not
require a registration or the registration is envisaged for a later
registration deadline.
CAS-No. : 19881-70-0

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SECTION 2: Hazards identification
Classification of the substance or mixture
Not a hazardous substance or mixture according to Regulation (EC) No. 1272/2008.
This substance is not classified as dangerous according to Directive 67/548/EEC.
Label elements
The product does not need to be labelled in accordance with EC directives or respective national laws.
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Synonyms : (Z)-3-Chloro-2,3-bis(4-methoxyphenyl)acrylaldehyde
Formula : C17H15ClO3
Molecular Weight : 302,75 g/mol
CAS-No. : 19881-70-0
No components need to be disclosed according to the applicable regulations.

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SECTION 4: First aid measures
Description of first aid measures
If inhaled
If breathed in, move person into fresh air. If not breathing, give artificial respiration.
In case of skin contact
Wash off with soap and plenty of water.
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.
Most important symptoms and effects, both acute and delayed
The most important known symptoms and effects are described in the labelling (see section 2.2) and/or in
section 11
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
no data available
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
Avoid dust formation. Avoid breathing vapours, mist or gas.
For personal protection see section 8.
Environmental precautions
Do not let product enter drains.
Methods and materials for containment and cleaning up
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
Provide appropriate exhaust ventilation at places where dust is formed.
For precautions see section 2.2.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Recommended storage temperature: -20 °C
Light sensitive.
Specific end use(s)
Apart from the uses mentioned in section 1.2 no other specific uses are stipulated

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SECTION 8: Exposure controls/personal protection
Control parameters
Components with workplace control parameters
Exposure controls
Appropriate engineering controls
General industrial hygiene practice.
Personal protective equipment
Eye/face protection
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
Choose body protection in relation to its type, to the concentration and amount of dangerous
substances, and to the specific work-place., The type of protective equipment must be selected
according to the concentration and amount of the dangerous substance at the specific workplace.
Respiratory protection
Respiratory protection is not required. Where protection from nuisance levels of dusts are desired,
use type N95 (US) or type P1 (EN 143) dust masks. Use respirators and components tested and
approved under appropriate government standards such as NIOSH (US) or CEN (EU).
Control of environmental exposure
Do not let product enter drains.

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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) Evapouration 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: 3,541
octanol/water
p) Auto-ignition 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
Stable under recommended storage conditions.
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
In the event of fire: see section 5

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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 sensitisation
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
Additional Information
RTECS: Not available
To the best of our knowledge, the chemical, physical, and toxicological properties have not been
thoroughly investigated.

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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
PBT/vPvB assessment not available as chemical safety assessment not required/not conducted
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.
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
This safety datasheet complies with the requirements of Regulation (EC) No. 1907/2006.
Safety, health and environmental regulations/legislation specific for the substance or mixture
no data available
Chemical Safety Assessment

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SECTION 16 - ADDITIONAL INFORMATION
N/A

反应信息

• 作为反应物：
  描述：

  3-氯-2,3-双(4-甲氧基苯基)丙烯醛 在 ammonium chloride 、 potassium selenocyanate 作用下， 以 丙酮 为溶剂， 反应 5.0h， 以56%的产率得到4,5-Bis(4-methoxyphenyl)-1,2-selenazole
  参考文献：
  名称：

  有关新型4,5-二芳基异硒唑的COX / 5-LOX抑制和羟基自由基清除能力的研究。

  摘要：

  这项研究的目的是研究作为多种目标非甾体类抗炎药（MTNSAIDs）的4,5-二芳基异亚硒唑，它们可以通过不同的作用机制干预炎症过程，从而产生一类新型化合物。在这里，我们描述了COX / LOX抑制剂的合成，这些抑制剂还可以降低活性氧的含量，例如众所周知的羟基自由基，可支持帕金森氏病，阿尔茨海默氏病和类风湿性关节炎的炎症过程。

  DOI：

  10.1016/j.ejmech.2007.09.007
• 作为产物：
  描述：

  脱氧茴香偶姻 在 三氯氧磷 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 23.0h， 生成 3-氯-2,3-双(4-甲氧基苯基)丙烯醛
  参考文献：
  名称：

  乙烯基亚胺盐衍生物在卢卡诺醇a和相关海洋天然产物的区域控制和高效中继合成中的应用

  摘要：

  含有海洋天然产物的许多新颖的吡咯已经显示出具有令人感兴趣的生物学特性。这些化合物已成为几个研究小组的合成目标，并且我们先前已经报道了利用乙烯基亚胺盐衍生物作为类似吡咯体系的基础材料的合成方法。我们现在报道基于这种合成方法的化合物的卢卡醇A和Lammelarin O二甲醚的已知吡咯合成前体的新颖和区域控制的合成。

  DOI：

  10.1016/s0040-4020(99)00926-6

文献信息

• Eine neue Synthese von 2-Alkylthiopyryliumsalzen
  作者：D. Greif、F. Kropfgans、M. Pulst、M. Weißenfels

  DOI：10.1055/s-1989-27303

  日期：——

  A New Synthesis of 2-Alkylthiopyrylium salts 2-Alkylthiopyrylium salts are available in good yields via Aldol condensation reaction of β-chlorovinylaldehydes (carbonyl component) with acetone or α-methylene ketones (methylene component) followed by nucleophilic substitution reaction of the chlorine atom in the 4-acyl-1-chloro-1,3-butadienes by means of sodium sulfide and further cyclization of the resulting 4-acyl-1-mercapto-1,3-butadienes.

  2-Akylthiopyrylium 盐的新合成方法 δ-氯乙烯基醛（羰基成分）与丙酮或δ-亚甲基酮（亚甲基成分）发生醛醇缩合反应，然后 4-酰基-1-氯-1,3-丁二烯中的氯原子通过硫化钠发生亲核取代反应，进一步环化得到 4-酰基-1-巯基-1,3-丁二烯，2-烷基硫代吡啶鎓盐的产率很高、3-丁二烯中的氯原子通过硫化钠发生亲核取代反应，并进一步将生成的 4-酰基-1-巯基-1,3-丁二烯环化。
• Cytotoxicity of Substituted Alkyl-3,4-bis(4-methoxyphenyl)pyrrole-2-carboxylates in L1210 Lymphoid Leukemia Cells
  作者：Bruce S. Burnham、John T. Gupton、Keith Krumpe、T. Webb、Jordan Shuford、Brook Bowers、Amy E. Warren、Cheryl Barnes、Iris H. Hall

  DOI：10.1002/(sici)1521-4184(199811)331:11<337::aid-ardp337>3.0.co;2-r

  日期：1998.11

  Two alkyl-3,4-bis(4-methoxyphenyl)pyrrole-2-carboxylates proved to be potent cytotoxic agents in the murine L1210 lymphoid leukemia screen. DNA synthesis was preferentially inhibited with the major target of the agents being de novo purine biosynthesis at the regulatory enzyme sites of PRPP-amido transferase and IMP dehydrogenase. Other enzymatic activities which were suppressed by the drugs were DNA polymerase alpha, RNA polymerases, ribonucleoside reductase and dihydrofolate reductase. The d[NTP] pools, nucleoside kinase and the pyrimidine pathway were not affected by the presence of drugs. The DNA molecule itself was not the target of the agents, i.e. no alkylation of nucleotide bases, intercalation between bases or cross-linking of DNA strands occurred. The agents did cause L1210 DNA fragmentation after 24 h incubation at 100 microM.
• TARGETED EPIGENETIC THERAPY FOR INHERITED AORTIC ANEURYSM CONDITION
  申请人：The Johns Hopkins University

  公开号：US20200253932A1

  公开（公告）日：2020-08-13

  Transforming growth factor β (TGFβ) transcriptional responses are involved in the pathogenesis of aortic aneurism syndromes. Compositions that inhibit histone acetyltransferase activity normalize gene expression in the aorta, preserved aortic wall architecture and abrogated aneurism progression. Methods include the use of these compositions to epigenetically regulate abnormal expression and/or activity of TGFβ genes.
• US4001431A
  申请人：——

  公开号：US4001431A

  公开（公告）日：1977-01-04
• US4061772A
  申请人：——

  公开号：US4061772A

  公开（公告）日：1977-12-06