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4'-chlorochalcone | 956-02-5

中文名称
——
中文别名
——
英文名称
4'-chlorochalcone
英文别名
1-(4-chlorophenyl)-3-phenylprop-2-en-1-one;1-(4-chloro-phenyl)-3-phenyl-2-propen-1-one;Fumaric acid; piperazine
4'-chlorochalcone化学式
CAS
956-02-5
化学式
C15H11ClO
mdl
MFCD00016343
分子量
242.705
InChiKey
HIINIOLNGCQCSM-UHFFFAOYSA-N
BEILSTEIN
——
EINECS
——
  • 物化性质
  • 计算性质
  • ADMET
  • 安全信息
  • SDS
  • 制备方法与用途
  • 上下游信息
  • 反应信息
  • 文献信息
  • 表征谱图
  • 同类化合物
  • 相关功能分类
  • 相关结构分类

物化性质

  • 熔点:
    97-101 °C(lit.)
  • 沸点:
    386.8±42.0 °C(Predicted)
  • 密度:
    1.202±0.06 g/cm3(Predicted)
  • 最大波长(λmax):
    310nm(EtOH)(lit.)
  • 稳定性/保质期:

    常温常压下稳定,避免与氧化物接触。

计算性质

  • 辛醇/水分配系数(LogP):
    3.7
  • 重原子数:
    17
  • 可旋转键数:
    3
  • 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
  • WGK Germany:
    3
  • RTECS号:
    UD5572990
  • 海关编码:
    2914700090
  • 危险性防范说明:
    P261,P305+P351+P338
  • 危险性描述:
    H315,H319,H335
  • 储存条件:
    请将容器密封保存,并存放在阴凉、干燥处。

SDS

SDS:0c88d1686f1ea455972c7723ee4366bc
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Section 1. IDENTIFICATION OF THE SUBSTANCE/MIXTURE
Product identifiers
Product name : 4'-CHLORCHALKON
CAS-No. : 956-02-5
Relevant identified uses of the substance or mixture and uses advised against
Identified uses : Laboratory chemicals, Manufacture of substances



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
Caution - substance not yet tested completely.
Other hazards - none

Section 3. COMPOSITION/INFORMATION ON INGREDIENTS
Substances
Formula : C15H11ClO
Molecular Weight : 242,70 g/mol

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
Indication of any immediate medical attention and special treatment needed
no data available

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, Hydrogen chloride gas
Advice for firefighters
Wear self contained breathing apparatus for fire fighting if necessary.
Further information
no data available

Section 6. ACCIDENTAL RELEASE MEASURES
Personal precautions, protective equipment and emergency procedures
Avoid dust formation. Avoid breathing vapors, mist or gas.
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.

Section 7. HANDLING AND STORAGE
Precautions for safe handling
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

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).

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 97 - 101 °C
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- no data available
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

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

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 May be harmful if swallowed.
Skin May be harmful if absorbed through skin. May cause skin irritation.
Eyes May cause eye irritation.
Additional Information
RTECS: Not available

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

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.

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

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
no data available

Section 16. OTHER INFORMATION
Further information
Copyright 2012 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.

上下游信息

  • 上游原料
    中文名称 英文名称 CAS号 化学式 分子量
  • 下游产品
    中文名称 英文名称 CAS号 化学式 分子量

反应信息

  • 作为反应物:
    描述:
    4'-chlorochalconesodium异丙醇 、 sodium hydroxide 作用下, 反应 10.0h, 生成 N-(4-(4-chlorophenyl)-6-phenylpyrimidin-2-yl)-4-methylbenzenesulfonamide
    参考文献:
    名称:
    合成,表征4,6-二取代的氨基嘧啶及其磺酰胺衍生物作为抗阿米巴剂
    摘要:
    本研究描述了4,6-二取代的氨基嘧啶(1b – 10b)及其磺酰胺衍生物(1 – 20)的合成和抗厌氧活性。通过光谱数据表征所有所需化合物,并通过元素分析证实其纯度。本研究的目的是探讨目标化合物对溶组织变形杆菌的HM1:IMSS菌株体外生长的影响。通过微量稀释法进行体外抗厌氧活性,并将结果与​​标准药物甲硝唑进行比较。结果显示,磺酰胺衍生物(1 – 20)的活性比4,6-二取代氨基嘧啶(1b – 10b)。5个嘧啶和12个磺酰胺衍生物比参考药物甲硝唑(IC 50  = 1.80μM)更好地抑制了溶血性大肠杆菌的生长。该化合物具有良好的体外抗厌氧活性,使它们成为有希望的分子,可进一步开发新型抗厌氧剂,从而优化铅,因此,希望这些初步结果有助于设计出具有增强抗厌氧性的更好的分子。活动。
    DOI:
    10.1007/s00044-013-0877-9
  • 作为产物:
    描述:
    2,3-dibromo-1-(4-chloro-phenyl)-3-phenyl-propan-1-one 在 sodium iodide 作用下, 以 二甲基亚砜异丙醇 为溶剂, 生成 4'-chlorochalcone
    参考文献:
    名称:
    Raghavan, R. S.; Velayutham, K.; Rajendran, V., Indian Journal of Chemistry, Section A: Inorganic, Physical, Theoretical and Analytical, 1984, vol. 23, # 6, p. 466 - 469
    摘要:
    DOI:
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文献信息

  • Synthesis of dihydroquinolinones <i>via</i> iridium-catalyzed cascade C–H amidation and intramolecular aza-Michael addition
    作者:Changduo Pan、Zhenkun Yang、Hao Xiong、Jiangang Teng、Yun Wang、Jin-Tao Yu
    DOI:10.1039/c8cc09751h
    日期:——
    An iridium-catalyzed annulation of chalcones with sulfonyl azides via cascade C–H amidation and intramolecular aza-Michael addition was developed, affording a variety of 2-aryl-2,3-dihydro-4-quinolones in moderate to good yields. This reaction features easy operation, readily available starting materials, and the cascade formation of two C–N bonds in one pot.
    通过级联的C–H酰胺化和分子内的氮杂-Michael加成反应,开发了催化的磺酰叠氮化物查尔酮的环化反应,提供了中等至良好收率的各种2-芳基-2,3-二氢-4-喹诺酮类化合物。该反应具有易于操作,易于获得的原料以及在一个反应​​釜中级联形成两个C–N键的特点。
  • Selective Reduction of α,β-Unsaturated Carbonyl Compounds with CO/H<sub>2</sub>O Catalyzed by Selenium under Atmospheric Pressure
    作者:Shiwei Lu、Fengshou Tian
    DOI:10.1055/s-2004-830871
    日期:——
    Selective reduction of α,β-unsaturated carbonyl compounds with carbon monoxide and water in the presence of a catalytic amount of selenium proceeded efficiently to afford the corresponding saturated carbonyl compounds in high yields under atmospheric pressure without use of a base.
    在催化量的存在下,α,β-不饱和羰基化合物与一氧化碳的选择性还原反应高效进行,无需使用碱,在大气压下即可高产率地得到相应的饱和羰基化合物。
  • Green synthesis and catalytic properties of palladium nanoparticles for the direct reductive amination of aldehydes and hydrogenation of unsaturated ketones
    作者:Mahmoud Nasrollahzadeh
    DOI:10.1039/c4nj01440e
    日期:——
    This paper reports on the synthesis and use of palladium nanoparticles as heterogeneous catalysts for the reductive amination of aldehydes and hydrogenation of unsaturated ketones. This method has the advantages of high yields, simple methodology and easy work up. The catalyst can be recovered and reused several times without significant loss of catalytic activity.
    本文报道了纳米粒子的合成及其作为非均相催化剂用于醛的还原胺化和不饱和酮加氢的应用。该方法具有收率高,方法简单,后处理容易的优点。催化剂可以回收并重复使用几次,而不会显着降低催化活性。
  • Chemoselective transfer hydrogenation of α,β-unsaturated carbonyls catalyzed by a reusable supported Pd nanoparticles on biomass-derived carbon
    作者:Tao Song、Yanan Duan、Yong Yang
    DOI:10.1016/j.catcom.2018.11.017
    日期:2019.2
    We herein report highly chemoselective transfer hydrogenation of α,β-unsaturated carbonyl compounds to saturated carbonyls with formic acid as a hydrogen donor over a stable and recyclable heterogeneous Pd nanoparticles (NPs) on N,O-dual doped hierarchical porous biomass-derived carbon. The synergistic effect between Pd NPs and incorporated heteroatoms on carbon plays a critical role on promoting the
    我们在此报告了在N,O-双掺杂分层多孔生物质衍生碳上稳定且可回收的异质Pd纳米颗粒(NPs)上,以甲酸为氢供体,将α,β-不饱和羰基化合物高度化学选择性转移氢化为饱和羰基的方法。Pd NP和掺入的杂原子对碳的协同作用对提高反应效率起关键作用。一系列的α,β-芳族和脂族不饱和羰基化合物被选择性还原为相应的饱和羰基化合物,分离产率高达97%,并具有对各种官能团的良好耐受性。另外,催化剂可以连续重复使用至少6次,而不会显着降低反应效率。
  • Chemoselective Hydrogenation of α,β-Unsaturated Carbonyls Catalyzed by Biomass-Derived Cobalt Nanoparticles in Water
    作者:Tao Song、Zhiming Ma、Yong Yang
    DOI:10.1002/cctc.201801987
    日期:2019.2.20
    selectivity for hydrogenation of C=C in α,β‐unsaturated carbonyls under mild conditions. A broad set of α,β‐aromatic and aliphatic unsaturated carbonyls were selectively reduced to their corresponding saturated carbonyls in up to 99 % yields with good tolerance of various functional groups. Meanwhile, a new straightforward one‐pot cascade synthesis of saturated carbonyls was realized with high activity and
    在本文中,我们报道了由竹笋中的生物质衍生的碳负载的纳米颗粒与中的分子氢在中将α,β-不饱和羰基高度化学选择性氢化为饱和羰基,这是使用非均相非贵金属催化剂的首个原型据我们所知进行这种有机转型。最佳纳米催化剂CoO x@ NC-800在温和条件下表现出显着的活性,对α,β-不饱和羰基中的C = C进行氢化。广泛的α,β-芳族和脂族不饱和羰基被选择性还原为相应的饱和羰基,收率高达99%,并且对各种官能团具有良好的耐受性。同时,通过酮与醛的交叉羟醛缩合,然后进行选择性加氢,实现了一种新的,直接的,高活性和高选择性的饱和羰基单锅级联反应。更重要的是,这种单罐策略适用于从容易获得的起始原料合成卢瑞瑞林A(一种多功能的生物活性和药用分子)的权宜之计,这进一步突出了该催化剂的实用性。此外,
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同类化合物

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