2,3-二苯基琥珀酸 | 7584-72-7

• 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: 2,3-二苯基琥珀酸
• 英文名称: 2,3-diphenylsuccinic acid
• 英文别名: α,β-diphenylsuccinic acid；2,3-diphenylbutanedioic acid
• CAS: 7584-72-7
• 化学式: C₁₆H₁₄O₄
• mdl: MFCD00156942
• 分子量: 270.285
• InChiKey: PVXCQHHWNDJIJP-UHFFFAOYSA-N

物化性质

• 熔点：
  211.5 °C(Solv: benzene (71-43-2))
• 沸点：
  360.2±37.0 °C(Predicted)
• 密度：
  1.307±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  20
• 可旋转键数：
  5
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.125
• 拓扑面积：
  74.6
• 氢给体数：
  2
• 氢受体数：
  4

安全信息

• 海关编码：
  2917399090

SDS

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SECTION 1: Identification of the substance/mixture and of the company/undertaking
Product identifiers
Product name : MESO-2,3-DIPHENYLSUCCINIC ACID
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. : 7584-72-7
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
Acute aquatic toxicity (Category 1), H400
For the full text of the H-Statements mentioned in this Section, see Section 16.
Classification according to EU Directives 67/548/EEC or 1999/45/EC
N Dangerous for the R50
environment
For the full text of the R-phrases mentioned in this Section, see Section 16.
Label elements
Labelling according Regulation (EC) No 1272/2008
Pictogram
Signal word Warning
Hazard statement(s)
H400 Very toxic to aquatic life.
Precautionary statement(s)
P273 Avoid release to the environment.
Supplemental Hazard none
Statements
Other hazards - none

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SECTION 3: Composition/information on ingredients
Substances
Formula : C16H14O4
Molecular Weight : 270,29 g/mol
CAS-No. : 7584-72-7
Hazardous ingredients according to Regulation (EC) No 1272/2008
Component Classification Concentration
MESO-2,3-DIPHENYLSUCCINIC ACID
Aquatic Acute 1; H400 -
Hazardous ingredients according to Directive 1999/45/EC
Component Classification Concentration
MESO-2,3-DIPHENYLSUCCINIC ACID
N, R50 -
For the full text of the H-Statements and R-Phrases mentioned in this Section, see Section 16

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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
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
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
Avoid dust formation. Avoid breathing vapours, mist or gas. Ensure adequate ventilation. Evacuate
personnel to safe areas.
For personal protection see section 8.
Environmental precautions
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into the
environment must be avoided.
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
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.
Specific end use(s)
A part 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
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
Use equipment for eye protection tested and approved under appropriate government standards
such as NIOSH (US) or EN 166(EU).
Skin protection
The selected protective gloves have to satisfy the specifications of EU Directive 89/686/EEC and
the standard EN 374 derived from it.
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.
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
Prevent further leakage or spillage if safe to do so. Do not let product enter drains. Discharge into
the environment must be avoided.

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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: 2,449
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
Very toxic to aquatic life.
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. 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: 3077 IMDG: 3077 IATA: 3077
UN proper shipping name
ADR/RID: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (MESO-2,3-
DIPHENYLSUCCINIC ACID)
IMDG: ENVIRONMENTALLY HAZARDOUS SUBSTANCE, SOLID, N.O.S. (MESO-2,3-
DIPHENYLSUCCINIC ACID)
IATA: Environmentally hazardous substance, solid, n.o.s. (MESO-2,3-DIPHENYLSUCCINIC ACID)
Transport hazard class(es)
ADR/RID: 9 IMDG: 9 IATA: 9
Packaging group
ADR/RID: III IMDG: III IATA: III
Environmental hazards
ADR/RID: yes IMDG Marine pollutant: yes IATA: yes
Special precautions for user
Further information
EHS-Mark required (ADR 2.2.9.1.10, IMDG code 2.10.3) for single packagings and combination
packagings containing inner packagings with Dangerous Goods > 5L for liquids or > 5kg for solids.

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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
For this product a chemical safety assessment was not carried out

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SECTION 16: Other information
Full text of H-Statements referred to under sections 2 and 3.
Aquatic Acute Acute aquatic toxicity
H400 Very toxic to aquatic life.
Full text of R-phrases referred to under sections 2 and 3
N Dangerous for the environment
R50 Very toxic to aquatic organisms.
Further information
Copyright 2013 Co. LLC. License granted to make unlimited paper copies for internal use
only.
The above information is believed to be correct but does not purport to be all inclusive and shall be
used only as a guide. The information in this document is based on the present state of our knowledge
and is applicable to the product with regard to appropriate safety precautions. It does not represent any
guarantee of the properties of the product. Corporation and its Affiliates shall not be held
liable for any damage resulting from handling or from contact with the above product. See
and/or the reverse side of invoice or packing slip for additional terms and conditions of sale.

反应信息

• 作为反应物：
  描述：

  2,3-二苯基琥珀酸 在 硫酸 作用下， 反应 1.5h， 以41.7%的产率得到cis-4b,5,9b,10-tetrahydroindeno<2,1-a>indene-5,10-dione
  参考文献：
  名称：

  钌（II）催化的动态动力学拆分-不对称转移加氢立体排列的2,3-二取代的1-茚满醇

  摘要：

  具有两个立体不稳定中心的活化的外消旋2,3-二取代的1-茚满酮1通过钌（II）催化的动态动力学拆分-不对称转移氢化反应被立体选择性地还原为相应的手性2,3-二取代的-1-茚满醇2。特别地，该途径为获得具有四个连续手性中心的新型构象刚性对映纯1,4-二醇2k - m提供了实用途径。介绍了通过高度非对映体和区域选择性的Friedel-Crafts邻氯苯甲醚苄基化反应将ent - 2k转化为Pallidol类似物的过程。

  DOI：

  10.1021/acs.orglett.8b00980
• 作为产物：
  描述：

  苯乙酸乙酯 在 碘 、 sodium methylate 、 potassium hydroxide 作用下， 反应 5.5h， 生成 2,3-二苯基琥珀酸
  参考文献：
  名称：

  可通过溶剂特性调节的蝶形过度拥挤烯烃转子中的中观-手性互变动力学

  摘要：

  阐明分子旋转运动的动力学是研究的重要组成部分和具有挑战性的领域。我们展示了由过度拥挤的蝴蝶形烯烃 ( FDF )组成的分子转子的可逆非对映异构互变。其固有的双旋转运动（两个转子，一个定子）以及两种非对映异构体、手性反式FDF和内消旋FDF形式之间的相互转化，已在不同的温度和溶剂下进行了详细检查。一个转子部件旋转 180° 的自由能曲线具有双峰形状，最大值不均匀（过渡态）。FDF在芳香族溶剂中优先采用内消旋顺式构象，而在非芳香族溶剂中，由于溶剂与外围己基链的相互作用（疏溶剂效应），手性反式构象更为丰富。发现反式FDF /顺式FDF比率与溶剂参数（例如折射率、极化率和粘度）之间存在中等相关性。

  DOI：

  10.1002/anie.202102719

文献信息

• Direct Optical Resolution of Carboxylic Acids by Chiral HPLC on Tris(3,5-dimethylphenylcarbamate)s of Cellulose and Amylose
  作者：Yoshio Okamoto、Ryo Aburatani、Yuriko Kaida、Koichi Hatada

  DOI：10.1246/cl.1988.1125

  日期：1988.7.5

  A variety of racemic carboxylic acids have been for the first time directly resolved by normal-phase, high-performance liquid chromatography using a hexane-2-propanol eluting system containing a small amount (≈1%) of a strong carboxylic acid, like formic acid, trichloroacetic acid, and trifluoroacetic acid.

  多种外消旋羧酸首次通过正相高效液相色谱法直接拆分，该方法采用含有少量（约1%）强羧酸（如甲酸、三氯乙酸和三氟乙酸）的己烷-2-丙醇洗脱系统。
• Oxidative coupling of carboxylic acid dianions
  作者：J.L. Belletire、E.G. Spletzer、A.R. Pinhas

  DOI：10.1016/s0040-4039(01)81735-4

  日期：1984.1

  The conditions, scope, and stereochemical consequences of a versatile approach to succinic acid derivatives are described.

  描述了一种通用方法制备琥珀酸衍生物的条件，范围和立体化学结果。
• Thioether- and sulfone-functionalized dibenzopentalenes as n-channel semiconductors for organic field-effect transistors
  作者：Mathias Hermann、Ruihan Wu、David C. Grenz、Daniel Kratzert、Hanying Li、Birgit Esser

  DOI：10.1039/c8tc00970h

  日期：——

  Dibenzo[a,e]pentalenes (DBPs) are promising candidates to be used as ambipolar or n-type semiconductors in organic field-effect transistors (OFETs). For n-channel conduction, low LUMO energy levels are required. Furthermore, a close molecular packing in the solid state is advantageous. Here we present thioether-functionalized DBPs with LUMO energies down to −3.47 eV as well as a DBP sulfone with a

  二苯并[ a，e ]戊烯（DBPs）是有希望的候选物，可用作有机场效应晶体管（OFET）中的双极性或n型半导体。对于n通道传导，需要较低的LUMO能级。此外，固态的紧密分子堆积是有利的。在这里，我们介绍了LUMO能量低至-3.47 eV的硫醚官能化DBP，以及LUMO能量为-3.94 eV的DBP砜。X射线晶体学显示固态的一维π堆积或人字形堆积，DBP核之间的分子内距离很近。在FET测量中，在电子迁移率高达0.18 cm 2 V -1 s -1的取向良好的晶体上，两个硫代DBP和DBP砜显示n沟道传导，迄今为止，DBP衍生物中n通道传导的报告值最高。短的合成路线在将来将允许容易地获得各种用于n通道或双极半导体的硫代和砜型DBP。
• 축합환 화합물 및 이를 포함하는 유기 전계 발광 소자
  申请人：Samsung Display Co., Ltd. 삼성디스플레이 주식회사(120120164552) Corp. No ▼ 134511-0187812

  公开号：KR20160056315A

  公开（公告）日：2016-05-19

  하기 화학식 1로 표시되는 축합환 화합물 및 이를 포함하는 유기 전계 발광 소자가 제공된다: 003c#화학식 1003e# 상기 식 중, R 내지 R,Ar, Ar, A, B, a 및 b 는 발명의 상세한 설명을 참조한다. 상기 축합환 화합물을 포함하는 유기층을 구비한 유기 발광 소자는 저구동 전압, 고발광 효율 및 장수명의 특성을 가진다.

  提供了一种标识为化学式1的缩合环化合物以及包含该化合物的有机电致发光器件：003c#化学式1003e#。在上述公式中，R至R，Ar，Ar，A，B，a和b参见本发明的详细说明。具有包含缩合环化合物的有机层的有机发光器件具有低驱动电压、高发光效率和长寿命特性。
• Condensed-cyclic compound and organic light-emitting diode including the condensed-cyclic compound
  申请人：Samsung Display Co., Ltd.

  公开号：US09537104B2

  公开（公告）日：2017-01-03

  A condensed-cyclic compound and an organic light-emitting diode including the condensed-cyclic compound.

  一种紧凑环状化合物和包括该紧凑环状化合物的有机发光二极管。

表征谱图