苯甲酮-d10 | 22583-75-1

• 物质功能分类: 有机原料 - 酮类化合物
• 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: 苯甲酮-d10
• 中文别名: 苯甲酮-d1
• 英文名称: (2H10)benzophenone
• 英文别名: benzophenone-d10；Benzophenon-d(10)；Decadeuteriobenzophenon；per-deuterated benzophenone；d₁₀-benzophenone；bis(2,3,4,5,6-pentadeuteriophenyl)methanone
• CAS: 22583-75-1
• 化学式: C₁₃H₁₀O
• 分子量: 192.142
• InChiKey: RWCCWEUUXYIKHB-LHNTUAQVSA-N

物化性质

• 熔点：
  47-51 °C(lit.)
• 沸点：
  305 °C(lit.)
• 闪点：
  138℃
• 溶解度：
  可溶于氯仿（少许）、甲醇（少许）
• 稳定性/保质期：

  避免接触强氧化物和强还原剂。

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  14
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  17.1
• 氢给体数：
  0
• 氢受体数：
  1

安全信息

• 危险品标志：
  Xi
• 安全说明：
  S26,S36
• 危险类别码：
  R36/37/38
• WGK Germany：
  3
• 储存条件：
  将物品存放在阴凉、干燥的紧密容器中保存。

SDS

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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : Benzophenone-d10
CAS-No. : 22583-75-1
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 aquatic toxicity (Category 1)
Classification according to EU Directives 67/548/EEC or 1999/45/EC
Irritating to eyes, respiratory system and skin.
Label elements
Labelling according Regulation (EC) No 1272/2008 [CLP]
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
According to European Directive 67/548/EEC as amended.
Hazard symbol(s)
R-phrase(s)
R36/37/38 Irritating to eyes, respiratory system and skin.
S-phrase(s)
S26 In case of contact with eyes, rinse immediately with plenty of water and
seek medical advice.
S36 Wear suitable protective clothing.
Other hazards - none

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Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C13D10O
Molecular Weight : 192,28 g/mol
Component Concentration
Benzophenone-d10
CAS-No. 22583-75-1 -
EC-No. 245-107-5

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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
Rinse thoroughly with plenty of water for at least 15 minutes and consult a physician.
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. FIRE-FIGHTING 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. Evacuate personnel to safe areas. 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.
Conditions for safe storage, including any incompatibilities
Store in cool place. Keep container tightly closed in a dry and well-ventilated place.
Store under inert gas. hygroscopic
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
impervious clothing, 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 Melting point/range: 47 - 51 °C - lit.
point
f) Initial boiling point and 305 °C - lit.
boiling range
g) Flash point 138 °C - closed cup
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: 3,18
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

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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. Causes respiratory tract irritation.
Ingestion May be harmful if swallowed.
Skin May be harmful if absorbed through skin. Causes skin irritation.
Eyes Causes serious 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. 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

制备方法与用途

合成制备方法
用途

反应信息

• 作为反应物：
  描述：

  苯甲酮-d10 生成 苯妥英-D10
  参考文献：
  名称：

  Moustafa; El-Emam; Subbagh, Arzneimittel-Forschung/Drug Research, 1990, vol. 40, # 10, p. 1076 - 1078

  摘要：

  DOI：
• 作为产物：
  描述：

  氘代苯 在 三氯化铝 、 水 作用下， 生成 苯甲酮-d10
  参考文献：
  名称：

  NaX沸石中二苯酮-d10和环己烷的邻近性、光化学反应性和分子间1H-13C交叉极化

  摘要：

  已经分析了沸石 NaX 中二苯甲酮和环己烷的光化学、光物理和固态 13C CPMAS NMR，以研究它们的接近性、相对迁移率和分子间反应性。二苯甲酮在纯环己烷中的光化学照射产生苯频哪醇和二苯甲醇作为主要产物。相比之下，固态辐射导致 1-环己基-1,1-二苯基甲醇作为唯一的产物，这是由于受激发的二苯甲酮从环己烷中夺氢后形成的自由基对的崩溃。77 K 下的磷光分析表明存在高度极性的环境，但在环己烷存在下 300 K 下缺乏发射被认为是通过有效的夺氢反应导致三线态衰变。13C CPMAS NMR 的光谱分析表明，二苯甲酮和环己烷以大约 1:2 的比例被吸附。在光解之前和之后在旋转和静态样品中观察到的变化被解释为具有能力的分子运动。

  DOI：

  10.1021/ja9623368
• 作为试剂：
  描述：

  beta-紫罗酮 在 苯甲酮-d10 作用下， 以 氘代甲醇 为溶剂， 反应 12.0h， 生成 (Z)-retro-γ-ionone 、 4-(2,6,6-三甲基-1-环己烯基)丁-3-烯-2-酮 、 6,7,8,8alpha-四氢-2,5,5,8alpha-四甲基-5H-1-苯并吡喃
  参考文献：
  名称：

  二烯酮-VIII 1的光化学：（z）-β-紫罗兰酮及其光异构体的低温光化学

  摘要：

  在直接用λ254 nm照射和三重态光敏化的条件下，已将（E）-β-紫罗兰酮1以及异构吡喃2和（Z）-β-紫罗兰酮3的混合物作为溶剂在CD 3 OD中进行了异构化。在⩽-50°的温度下进行了研究，其中2和3之间的热异构化被完全抑制。在-60°处直接照射1会生成3和（Z）-复古-γ-紫罗兰酮4作为主要产物。随后将3迅速地光电转换为2。有证据表明4也是2和3的主要光产物。量子产率比φ2 →4：φ3 → 4⋍0.50。从1或2和3的混合物开始，最终获得1-3的相同光平稳平衡比，即1：2：3×17:72:11。相对于1-3，4是光稳定的。

  DOI：

  10.1016/s0040-4020(01)92097-6

文献信息

• Palladium-Catalyzed Intramolecular Amidation of C(sp²)−H Bonds: Synthesis of 4-Aryl-2-quinolinones
  作者：Kiyofumi Inamoto、Tadataka Saito、Kou Hiroya、Takayuki Doi

  DOI：10.1021/jo100557s

  日期：2010.6.4

  A catalytic synthetic approach for the synthesis of 2-quinolinone compounds through a Pd-catalyzed C(sp2)−H functionalization/intramolecular amidation sequence is described. The cyclization process efficiently proceeds in the presence of a catalytic amount of PdCl2 and Cu(OAc)2 under an O2 atmosphere, providing practical access to a range of variously substituted 4-aryl-2-quinolinones.

  描述了一种通过Pd催化的C（sp 2）-H官能化/分子内酰胺化序列合成2-喹啉酮化合物的催化合成方法。在O 2气氛下，在催化量的PdCl 2和Cu（OAc）2的存在下，环化过程有效地进行，从而提供了各种不同取代的4-芳基-2-喹啉酮的实用途径。
• AZA-PYRIDONE COMPOUNDS AND USES THEREOF
  申请人：Alios BioPharma, Inc.

  公开号：US20150072982A1

  公开（公告）日：2015-03-12

  Disclosed herein are aza-pyridone compounds, pharmaceutical compositions that include one or more aza-pyridone compounds, and methods of synthesizing the same. Also disclosed herein are methods of ameliorating and/or treating a disease and/or a condition, including an orthomyxovirus infection, with an aza-pyridone compounds. Examples of an orthomyxovirus viral infection include an influenza infection.

  本文揭示了氮杂吡啶酮化合物，包括一种或多种氮杂吡啶酮化合物的药物组合物，以及合成这些化合物的方法。本文还揭示了使用氮杂吡啶酮化合物改善和/或治疗疾病和/或病况的方法，包括流感病毒感染在内的正黏液病毒感染。
• Pd(II)-Catalyzed Direct <i>ortho</i>-C–H Acylation of Aromatic Ketones by Oxidative Decarboxylation of α-Oxocarboxylic Acids
  作者：Pui-Yiu Lee、Peiwen Liang、Wing-Yiu Yu

  DOI：10.1021/acs.orglett.7b00677

  日期：2017.4.21

  A Pd-catalyzed decarboxylative acylation of aromatic ketones with α-oxocarboxylic acids was developed, and 1,2-diacylbenzenes were formed in up to 90% yield with excellent ortho-selectivity. This work demonstrates the first successful attempt to direct C–H acylation of aromatic ketones without the need for prederivatization to imines. The acylation reaction was inhibited by radical scavengers such

  开发了α-氧代羧酸钯催化芳族酮的脱羧酰化反应，并以高达90％的产率形成了1,2-二酰基苯，并具有优异的邻位选择性。这项工作证明了直接进行芳族酮的C–H酰化反应而无需对亚胺进行去衍生化的首次成功尝试。酰化反应被自由基清除剂如TEMPO抑制，并且已分离并表征了2,2,6,6-四甲基哌啶-1-基苯甲酸酯，TEMPO和苯甲酰基的加合物。该发现与酰基自由基的中间性相容。提出了涉及芳基酮的四环配合物与酰基反应的机理。
• [EN] SUBSTITUTED AROMATIC AMINES FOR USE IN ORGANIC ELECTROLUMINESCENT DEVICES<br/>[FR] AMINES AROMATIQUES SUBSTITUÉES DESTINÉES À ÊTRE UTILISÉES DANS DES DISPOSITIFS ÉLECTROLUMINESCENTS ORGANIQUES
  申请人：MERCK PATENT GMBH

  公开号：WO2019115577A1

  公开（公告）日：2019-06-20

  The present application relates to a specific fluorene derivative, to its use in an electronic device and to an electronic device comprising said fluorene derivatives. Further, the present application relates to a process for the preparation of such fluorene compounds and to oligomers, polymers or dendrimers as well as formulations or compositions comprising one or more of said fluorene compounds.

  本申请涉及一种特定的芴衍生物，其在电子设备中的应用以及包括该芴衍生物的电子设备。此外，本申请涉及一种制备这种芴化合物的方法，以及寡聚体、聚合物或树枝状聚合物，以及包含一种或多种上述芴化合物的配方或组合物。
• Directed Hydroxylation of sp² and sp³ C–H Bonds Using Stoichiometric Amounts of Cu and H₂O₂
  作者：Rachel Trammell、Lorenzo D’Amore、Alexandra Cordova、Pavel Polunin、Nan Xie、Maxime A. Siegler、Paola Belanzoni、Marcel Swart、Isaac Garcia-Bosch

  DOI：10.1021/acs.inorgchem.9b00901

  日期：2019.6.3

  protocol for the regioselective hydroxylation of sp2 and sp3 C–H bonds using a directing group, stoichiometric amounts of Cu and H2O2. A wide array of aromatic ketones and aldehydes are oxidized in the carbonyl γ-position with remarkable yields. We also expanded this methodology to hydroxylate the β-position of alkylic ketones. Spectroscopic characterization, kinetics, and density functional theory calculations

  与其他金属相比，将铜用于C–H键功能化的研究相对较少。在本文中，我们报告了使用导向基团，化学计量的Cu和H 2 O 2对sp 2和sp 3 C–H键的区域选择性羟基化的合成方案。各种各样的芳族酮和醛在羰基γ位被氧化，收率很高。我们还扩展了该方法以羟基化烷基酮的β-位。光谱表征，动力学和密度泛函理论计算都指向单核LCu II（OOH）物种的参与，该物种会氧化芳香族sp 2 通过协调的杂合O-O键裂解C-H键，并伴随对芳烃系统的亲电子攻击。