80565-30-6 (4'-氯联苯-4-甲醛,4-(4-chlorophenyl)benzaldehyde)

CAS号:
80565-30-6
中文名称:
4'-氯联苯-4-甲醛
英文名称:
4-(4-chlorophenyl)benzaldehyde
分子式:
C13H9ClO
分子量:
216.662962675095

4'-氯联苯-4-甲醛(80565-30-6)名称与标识符

名称

中文别名:
4'-氯联苯-4-甲醛;4-(2-氯苯基)苯甲醛;4-氯联苯-4-甲醛;4’-氯联苯-4-甲醛;4'-氯-[1,1'-联苯]-4-甲醛;
英文别名:
4'-Chloro-[1,1'-biphenyl]-4-carbaldehyde;4'-Chloro-[1,1'-biphenyl]-4-carboxaldehyde;4-Chloro-[1,1-biphenyl]-4-carbaldehyde;[1,1'-BIPHENYL]-4-CARBOXALDEHYDE,4'-CHLORO-;2-Chloro-Biphenyl-4-Carbaldehyde;4-(4-chlorophenyl)benzaldehyde;4-(4-Chlorophenyl)-benzaldehyde;4'-Chlorobiphenyl-4- carbaldehyde;4'-Chlorobiphenyl-4-carbaldehyde;FT-0655262;C3616;80565-30-6;[1,1'-Biphenyl]-4-carboxaldehyde, 4'-chloro-;4'-Chloro-biphenyl-4-carbaldehyde, AldrichCPR;AC-27960;EN300-202808;4'-CHLOROBIPHENYL-4-CARBOXALDEHYDE;BB 0222402;CS-0060227;A839948;Z732812876;MFCD01631911;SCHEMBL2013120;4'-Chloro-biphenyl-4-carboxaldehyde;4'-CHLORO-BIPHENYL-4-CARBALDEHYDE;SY014055;NS00125847;F9995-0532;4-[4-Chlorophenyl]benzaldehyde;4'-Chloro[1,1'-biphenyl]-4-carbaldehyde #;AR2045;DTXSID30343831;DS-18588;4'-Chloro[1,1'-biphenyl]-4-carbaldehyde;AKOS000805687;4'-chloro-4-biphenylcarbaldehyde;4′-Chloro[1,1′-biphenyl]-4-carboxaldehyde (ACI);4-(4′-Chlorophenyl)benzaldehyde;4′-Chloro-1,1′-biphenyl-4-carboxaldehyde;4′-Chloro-[1,1′-biphenyl]-4-carbaldehyde;4′-Chlorobiphenyl-4-carbaldehyde;4′-Chlorobiphenyl-4-carboxaldehyde;4'-Chloro[1,1'-biphenyl]-4-carboxaldehyde; 4-(4-Chlorophenyl)benzaldehyde; 4'-Chloro-1,1'-biphenyl-4-carboxaldehyde; 4'-Chlorobiphenyl-4-carboxaldehyde;;

标识符

MDL:
MFCD01631911
InChIKey:
UXCMNUUPBMYDLJ-UHFFFAOYSA-N
Inchi:
1S/C13H9ClO/c14-13-7-5-12(6-8-13)11-3-1-10(9-15)2-4-11/h1-9H
SMILES:
O=CC1C=CC(C2C=CC(Cl)=CC=2)=CC=1

4'-氯联苯-4-甲醛(80565-30-6)物化性质

实验特性

  • LogP : 3.81950
  • PSA : 17.07000
  • 折射率 : 1.618
  • 沸点 : 354.3±25.0°C at 760 mmHg
  • 熔点 : 114.0 to 118.0 deg-C
  • 闪点 : 183.9°C
  • 颜色与性状 : Pale-yellow to Yellow-brown Solid
  • 密度 : 1.214

计算特性

  • 精确分子量 : 216.03400
  • 氢键供体数量 : 0
  • 氢键受体数量 : 1
  • 可旋转化学键数量 : 2
  • 同位素质量 : 216.034
  • 重原子数量 : 15
  • 复杂度 : 201
  • 同位素原子数量 : 0
  • 确定原子立构中心数量 : 0
  • 不确定原子立构中心数量 : 0
  • 确定化学键立构中心数量 : 0
  • 不确定化学键立构中心数量 : 0
  • 共价键单元数量 : 1
  • 疏水参数计算参考值(XlogP) : 4.4
  • 拓扑分子极性表面积 : 17.1A^2

4'-氯联苯-4-甲醛(80565-30-6)海关数据

海关编码:
2913000090
海关数据:

中国海关编码:

2913000090

概述:

2913000090 品目2912所列产品的其他衍生物〔指卤化,磺化,硝化或亚硝化的衍生物〕. 增值税率:17.0% 退税率:9.0% 监管条件:无 最惠国关税:5.5% 普通关税:30.0%

申报要素:

品名, 成分含量, 用途

Summary:

HS: 2913000090 halogenated, sulphonated, nitrated or nitrosated derivatives of products of heading 2912 Educational tariff:17.0% Tax rebate rate:9.0% Regulatory conditions:none Most favored nation tariff:5.5% General tariff:30.0%

4'-氯联苯-4-甲醛(80565-30-6)推荐厂家 更多厂家(37)

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上海源叶生物科技有限公司 15026964105
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北京百灵威科技有限公司 18210857532翟先生 3650742139
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西安德而塔生物科技有限公司 18133906270
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上海吉至生化科技有限公司 18117592386
021-57481218
吉至试剂 3007522982
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湖北诺纳科技有限公司 17386169806
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张经理 1141855188
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上海瀚思化工有限公司 18939883912
021-34536277
顾经理 3003949364
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铼博(上海)生化科技有限公司 13311756052
021-60536361 13311756052 13311756131
张经理 2851717387
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上海一基实业有限公司 13311756131
021-60548336 QQ:2355265332 QQ:2851717387
胡经理 2355265332
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上海绩祥生物科技有限公司 13093077543陆经理 3985448220
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上海腾准生物科技有限公司 19821570922
021-34053661
张经理 3003871136
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4'-氯联苯-4-甲醛(80565-30-6)合成路线

合成路线:1 步
反应条件:
参考文献:
From a single helix to a helical porous metalloenzyme catalyst based on temperature sensitive polyionic liquids
Li, Xinjuan; et al, Polymer Chemistry, 2022, 13(33), 4789-4797
合成路线:1 步
反应条件:
参考文献:
Palladium nanoparticles encapsulated in MIL-101-NH2 catalyzed one-pot reaction of Suzuki-Knoevenagel reaction
Li, Jia-Xin; et al, Inorganic Chemistry Communications, 2019, 103, 82-86
合成路线:1 步
反应条件:
参考文献:
A new diphosphine-carbonyl complex of ruthenium: an efficient precursor for C-C and C-N bond coupling catalysis
Mukherjee, Aparajita; et al, Dalton Transactions, 2018, 47(30), 10264-10272
合成路线:1 步
反应条件:
参考文献:
(N-Heterocyclic carbene) ion-pair palladium complexes: Suzuki-Miyaura cross-coupling studies in neat water under mild conditions
Chen, Ming-Tsz ; et al, Applied Organometallic Chemistry, 2020, 34(12),
合成路线:1 步
反应条件:
参考文献:
Efficient pyridylbenzamidine ligands for palladium-catalyzed Suzuki-Miyaura reaction
Huang, Ying-Tang; et al, Applied Organometallic Chemistry, 2012, 26(12), 701-706
合成路线:1 步
反应条件:
参考文献:
Pd-PEPPSI type complexes bearing unsymmetrical NHC ligand with phenyl-substituted backbone: Highly efficient catalysts for Heck-Mizoroki and Suzuki-Miyaura cross-coupling reactions
Korukcu, Meliha Cetin; et al, Applied Organometallic Chemistry, 2023, 37(5),
合成路线:1 步
反应条件:
参考文献:
Palladium-Anchored N-Heterocyclic Carbenes in a Porous Organic Polymer: A Heterogeneous Composite Catalyst for Eco-Friendly C-C Coupling
Let, Sumanta; et al, Journal of Organic Chemistry, 2022, 87(24), 16655-16664
合成路线:1 步
反应条件:
参考文献:
A self-assembled bisoxazoline/Pd composite microsphere as an excellent catalyst for Suzuki-Miyaura coupling reactions
Wang, Junke; et al, Green Chemistry, 2016, 18(4), 967-973
合成路线:1 步
反应条件:
参考文献:
Aerobic ligand-free Suzuki coupling catalyzed by in situ-generated palladium nanoparticles in water
Saha, Debasree; et al, Tetrahedron Letters, 2009, 50(9), 1003-1006
合成路线:1 步
反应条件:
参考文献:
Highly efficient copper(0)-catalyzed Suzuki-Miyaura cross-coupling reactions in reusable PEG-400
Mao, Jincheng; et al, Tetrahedron, 2008, 64(18), 3905-3911
合成路线:1 步
反应条件:
参考文献:
Synthesis and antimicrobial activity evaluation of aminoguanidine derivatives containing a biphenyl moiety
Yu, Haihong; et al, Youji Huaxue, 2019, 39(5), 1497-1502
合成路线:1 步
反应条件:
参考文献:
N-Heterocyclic Carbene Ligand-Controlled Chemodivergent Suzuki-Miyaura Cross Coupling
Reeves, Emily K.; et al, Journal of Organic Chemistry, 2019, 84(18), 11799-11812
合成路线:1 步
反应条件:
参考文献:
The Stille reaction
Farina, Vittorio; et al, Organic Reactions (Hoboken, 1997, 50,
合成路线:1 步
反应条件:
参考文献:
One-pot preparation of unsymmetrical biaryls via Suzuki cross-coupling reaction of aryl halide using phase-transfer catalyst in a biphasic solvent system
Miura, Masanori; et al, Synthetic Communications, 2007, 37(5), 667-674
合成路线:1 步
反应条件:
参考文献:
One pot biaryl synthesis via in situ boronate formation
Giroux, Andre; et al, Tetrahedron Letters, 1997, 38(22), 3841-3844
合成路线:1 步
反应条件:
参考文献:
Destruction and Construction: Application of Dearomatization Strategy in Aromatic Carbon-Nitrogen Bond Functionalization
Wang, Shuo-En; et al, Angewandte Chemie, 2015, 54(46), 13655-13658
合成路线:1 步
反应条件:
参考文献:
Controlling Multiple Active Sites on Pd-CeO2 for Sequential C-C Cross-coupling and Alcohol Oxidation in One Reaction System
Ko, Wonjae; et al, ChemCatChem, 2022, 14(4),
合成路线:1 步
反应条件:
参考文献:
Discovery of selective protein arginine methyltransferase 5 inhibitors and biological evaluations
Ji, Sen; et al, Chemical Biology & Drug Design, 2017, 89(4), 585-598
合成路线:1 步
反应条件:
参考文献:
Synthesis of water soluble 8-substituted 5-deazaflavins
Link, P. A. J.; et al, Journal of Heterocyclic Chemistry, 1985, 22(3), 873-8
合成路线:2 步
反应条件:
参考文献:
The Stille reaction
Farina, Vittorio; et al, Organic Reactions (Hoboken, 1997, 50,
合成路线:2 步
反应条件:
参考文献:
N-Heterocyclic Carbene Ligand-Controlled Chemodivergent Suzuki-Miyaura Cross Coupling
Reeves, Emily K.; et al, Journal of Organic Chemistry, 2019, 84(18), 11799-11812
合成路线:2 步
反应条件:
参考文献:
Controlling Multiple Active Sites on Pd-CeO2 for Sequential C-C Cross-coupling and Alcohol Oxidation in One Reaction System
Ko, Wonjae; et al, ChemCatChem, 2022, 14(4),
合成路线:2 步
反应条件:
参考文献:
The Stille reaction
Farina, Vittorio; et al, Organic Reactions (Hoboken, 1997, 50,
合成路线:2 步
反应条件:
参考文献:
The Stille reaction
Farina, Vittorio; et al, Organic Reactions (Hoboken, 1997, 50,
合成路线:1 步
反应条件:
参考文献:
Gold Catalysts Can Generate Nitrone Intermediates from a Nitrosoarene/Alkene Mixture, Enabling Two Distinct Catalytic Reactions: A Nitroso-Activated Cycloheptatriene/Benzylidene Rearrangement
More, Sayaji Arjun; et al, Organic Letters, 2021, 23(14), 5506-5511

4'-氯联苯-4-甲醛(80565-30-6)参考资料

Reaxys RN:
4396225
PubChem CID:

4'-氯联苯-4-甲醛(80565-30-6) MSDS

基础信息

  Material Safety Data Sheet

Section 1. Identi?cation of the substance
    Product Name:      4’-Chlorobiphenyl-4-carbaldehyde    
    Synonyms:

Section 2. Hazards identi?cation
    Harmful by inhalation, in contact with skin, and if swallowed.

Section 3. Composition/information on ingredients.
    Ingredient name:        4’-Chlorobiphenyl-4-carbaldehyde    
    CAS number:        80565-30-6    

Section 4. First aid measures
    Skin contact:        Immediately wash skin with copious amounts of water for at least 15 minutes while removing    
    contaminated clothing and shoes. If irritation persists, seek medical attention.
    Eye contact:        Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate    
    ?ushing of the eyes by separating the eyelids with ?ngers. If irritation persists, seek medical
    attention.
    Inhalation:        Remove to fresh air. In severe cases or if symptoms persist, seek medical attention.    
    Ingestion:        Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention.    

Section 5. Fire ?ghting measures
    In the event of a ?re involving this material, alone or in combination with other materials, use dry
    powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus
    should be worn.

Section 6. Accidental release measures
    Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national
    standards.
    Respiratory precaution:        Wear approved mask/respirator    
    Hand precaution:        Wear suitable gloves/gauntlets    
    Skin protection:        Wear suitable protective clothing    
    Eye protection:        Wear suitable eye protection    
    Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container
    for disposal. See section 12.
    Environmental precautions: Do not allow material to enter drains or water courses.

Section 7. Handling and storage
    Handling:        This product should be handled only by, or under the close supervision of, those properly quali?ed    
    in the handling and use of potentially hazardous chemicals, who should take into account the ?re,
    health and chemical hazard data given on this sheet.
    Store in closed vessels.
    Storage:

Section 8. Exposure Controls / Personal protection
    Engineering Controls: Use only in a chemical fume hood.
    Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles.
    General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse.

Section 9. Physical and chemical properties
    Appearance:        Not speci?ed    
    Boiling point:        No data    
    No data
    Melting point:
    Flash point:        No data    
    Density:        No data    
    Molecular formula:        C13H9ClO    
    Molecular weight:        216.7    

Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen chloride.

Section 11. Toxicological information
    No data.

Section 12. Ecological information
    No data.

Section 13. Disposal consideration
    Arrange disposal as special waste, by licensed disposal company, in consultation with local waste
    disposal authority, in accordance with national and regional regulations.

Section 14. Transportation information
    Non-harzardous for air and ground transportation.

Section 15. Regulatory information
    No chemicals in this material are subject to the reporting requirements of SARA Title III, Section
    302, or have known CAS numbers that exceed the threshold reporting levels established by SARA
    Title III, Section 313.


SECTION 16 - ADDITIONAL INFORMATION
N/A