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  3. 4'-(三氟甲基)联苯-4-甲醛 | 90035-34-0

90035-34-0 (4'-(三氟甲基)联苯-4-甲醛,4'-Trifluoromethyl-biphenyl-4-carbaldehyde)

快速询单
结构式：
4'-(三氟甲基)联苯-4-甲醛结构式图片|90035-34-0结构式图片
4'-(三氟甲基)联苯-4-甲醛MOL文件
CAS号：
90035-34-0
中文名称：
4'-(三氟甲基)联苯-4-甲醛
英文名称：
4'-Trifluoromethyl-biphenyl-4-carbaldehyde
分子式：
C14H9F3O
分子量：
250.215874433517

4'-(三氟甲基)联苯-4-甲醛(90035-34-0)名称与标识符

名称

中文别名：
4'-(三氟甲基)联苯-4-甲醛;2-氨基-4,6-二氯嘧啶-5-甲醛;4’-(三氟甲基)联苯-4-甲醛;4’-三氟甲基联苯-4-甲醛;4'-三氟甲基二苯基-4-甲醛;4-三氟甲基联苯-4-甲醛;三氟甲基二苯基-4-甲醛;
英文别名：
4'-Trifluoromethyl-biphenyl-4-carbaldehyde;4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carboxaldehyde;[1,1'-Biphenyl]-4-carboxaldehyde, 4'-(trifluoromethyl)-;4'-(Trifluoromethyl)[1,1'-biphenyl]-4-carbaldehyde;4-[4-(trifluoromethyl)phenyl]benzaldehyde;4’-Trifluoromethyl-biphenyl-4-carbaldehyde;4'-Trifluoromethylbiphenyl-4-carbaldehyde;4'-(Trifluoromethyl)-[1,1'-biphenyl]-4-carbaldehyde;4'-(TRIFLUOROMETHYL)BIPHENYL-4-CARBALDEHYDE;4'-(trifluoromethyl)-1,1'-biphenyl-4-carbaldehyde;4-(4-Trifluoromethylphenyl)benzaldehyde;4'-(trifluoromethyl)-4-biphenylcarbaldehyde;PubChem9323;4′-(Trifluoromethyl)[1,1′-biphenyl]-4-carboxaldehyde (ACI);4′-(Trifluoromethyl)biphenyl-4-aldehyde;4′-(Trifluoromethyl)biphenyl-4-carbaldehyde;4′-Trifluoromethyl-1,1′-biphenyl-4-carboxaldehyde;4′-Trifluoromethylbiphenyl-4-carboxaldehyde;4’-Trifluoromethylbiphenyl-4-carbaldehyde;AR2060;SCHEMBL2268468;4'-trifluoromethylbiphenyl-4-carboaldehyde;STL555766;90035-34-0;SB17872;p-(4-trifluoromethylphenyl)benzaldehyde;MFCD01862519;4'-Trifluoromethyl-1,1'-biphenyl-4-carboxaldehyde;J-516023;4\\'-Trifluoromethyl-biphenyl-4-carbaldehyde;4'-(Trifluoromethyl)[1,1'-biphenyl]-4-carboxaldehyde;4 inverted exclamation mark -Trifluoromethylbiphenyl-4-carbaldehyde;4'-Trifluoromethylbiphenyl-4-carboxaldehyde;4 inverted exclamation mark -(Trifluoromethyl)biphenyl-4-carbaldehyde;AKOS004114020;DTXSID80382230;AC-25490;T3755;SY033563;10Z-0702;DB-006911;BBL101969;4`-Trifluoromethyl-biphenyl-4-carbaldehyde;4'-(Trifluoromethyl)-Biphenyl-4-Carboxaldehyde;4-(4-trifluoromethylphenyl)-benzaldehyde;CS-M1756;

标识符

MDL：
MFCD01862519
InChIKey：
HIMSXOOFWOOYFK-UHFFFAOYSA-N
Inchi：
1S/C14H9F3O/c15-14(16,17)13-7-5-12(6-8-13)11-3-1-10(9-18)2-4-11/h1-9H
SMILES：
O=CC1C=CC(C2C=CC(C(F)(F)F)=CC=2)=CC=1

4'-(三氟甲基)联苯-4-甲醛(90035-34-0)物化性质

实验特性

  • LogP : 4.18490
  • PSA : 17.07000
  • 沸点 : 319.7°C at 760 mmHg
  • 熔点 : 74.0 to 78.0 deg-C
  • 颜色与性状 : White to Yellow Solid

计算特性

  • 精确分子量 : 250.06100
  • 氢键供体数量 : 0
  • 氢键受体数量 : 4
  • 可旋转化学键数量 : 2
  • 同位素质量 : 250.06054939g/mol
  • 重原子数量 : 18
  • 复杂度 : 271
  • 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） : 3.9
  • 拓扑分子极性表面积 : 17.1

4'-(三氟甲基)联苯-4-甲醛(90035-34-0)安全信息

4'-(三氟甲基)联苯-4-甲醛(90035-34-0)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'-(三氟甲基)联苯-4-甲醛(90035-34-0)推荐厂家 更多厂家(28)

公司名称手机号/电话联系人QQ微信询单
上海源叶生物科技有限公司 15026964105
15026964105		汤思磊 2881489226
询单
武汉欣欣佳丽生物科技有限公司 13207195831
027-84666270		王经理 1961290147
询单
郑州阿尔法化工有限公司 15324716602
0371-55013243		刘经理 2853979810
询单
上海瀚思化工有限公司 18939883912
021-34536277		顾经理 3003949364
询单
上海绩祥生物科技有限公司 13093077543陆经理 3985448220
询单
赫澎（上海）生物科技有限公司 13122891558
186-16545970		张硕 3418426269
询单
赫澎（上海）生物科技有限公司 13122891558
186-16545970		张硕 3418426269
询单
赫澎（上海）生物科技有限公司 13122891558
186-16545970		张硕 3418426269
询单
武汉鑫伟烨化工有限公司 18502781673
027-18502781673		张经理 359501377
询单
南通众合化工新材料有限公司 18762756250
0513-55074056		胡经理 2369399482
询单

4'-(三氟甲基)联苯-4-甲醛(90035-34-0)合成路线

合成路线：1 步
128796-39-4
15164-44-0
100%
90035-34-0
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; Zhou, Zhangquan; Dong, Jiaxin; Sun, Yanping; Ma, Guanglei; et al, Polymer Chemistry, 2022, 13(33), 4789-4797
合成路线：1 步
128796-39-4
1122-91-4
99%
90035-34-0
反应条件：
参考文献：
VP1 crystal structure-guided exploration and optimization of 4,5-dimethoxybenzene-based inhibitors of rhinovirus 14 infection
Da Costa, Laurene; Roche, Manon; Scheers, Els; Coluccia, Antonio; Neyts, Johan; et al, European Journal of Medicinal Chemistry, 2016, 115, 453-462
合成路线：1 步
128796-39-4
1122-91-4
95%
90035-34-0
反应条件：
参考文献：
One-Pot Tandem Photoredox and Cross-Coupling Catalysis with a Single Palladium Carbodicarbene Complex
Hsu, Yu-Cheng; Wang, Vincent C.-C.; Au-Yeung, Ka-Chun; Tsai, Chung-Yu; Chang, Chun-Chi; et al, Angewandte Chemie, 2018, 57(17), 4622-4626
合成路线：1 步
128796-39-4
1122-91-4
95%
90035-34-0
反应条件：
参考文献：
18-Crown-6 promoting Pd/C-catalyzed cross-coupling reaction of aryl bromides and arylboronic acids in aqueous media
Chu, Wenyi; Li, Xinmin; Hou, Yanjun; Wang, Hua; Li, Hongyu; et al, Applied Organometallic Chemistry, 2012, 26(9), 478-482
合成路线：1 步
1130440-65-1
1122-91-4
95%
90035-34-0
反应条件：
参考文献：
Nickel-Catalyzed Cross-Coupling of Organogold Reagents
Hirner, Joshua J.; Blum, Suzanne A., Organometallics, 2011, 30(6), 1299-1302
合成路线：1 步
128796-39-4
1122-91-4
93%
90035-34-0
反应条件：
参考文献：
Microwave-assisted synthesis and evaluation of acylhydrazones as potential inhibitors of bovine glutathione peroxidase
Wilde, Felix; Lemmerhirt, Heidi; Emmrich, Thomas; Bednarski, Patrick J.; Link, Andreas, Molecular Diversity, 2014, 18(2), 307-322
合成路线：1 步
128796-39-4
104-88-1
92%
90035-34-0
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 ; Lin, Yu-Hsuan; Jian, Kun-Han, Applied Organometallic Chemistry, 2020, 34(12),
合成路线：1 步
128796-39-4
1122-91-4
92%
90035-34-0
反应条件：
参考文献：
An efficient protocol for the palladium-catalyzed Suzuki-Miyaura cross-coupling
Marziale, Alexander N.; Jantke, Dominik; Faul, Stefan H.; Reiner, Thomas; Herdtweck, Eberhardt; et al, Green Chemistry, 2011, 13(1), 169-177
合成路线：1 步
128796-39-4
1122-91-4
89%
90035-34-0
反应条件：
参考文献：
Regioselectivity of thiouracil alkylation: Application to optimization of Darapladib synthesis
Guibbal, Florian ; Benard, Sebastien; Patche, Jessica; Meneyrol, Vincent; Couprie, Joel; et al, Bioorganic & Medicinal Chemistry Letters, 2018, 28(4), 787-792

4'-(三氟甲基)联苯-4-甲醛(90035-34-0)相关文献

4'-(三氟甲基)联苯-4-甲醛(90035-34-0)参考资料

Reaxys RN：
8143685
PubChem CID：
2782712

4'-(三氟甲基)联苯-4-甲醛(90035-34-0) MSDS

基础信息

  Material Safety Data Sheet
Section 1. Identi?cation of the substance
    Product Name:      4’-Tri?uoromethylbiphenyl-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’-Tri?uoromethylbiphenyl-4-carbaldehyde    
    CAS number:        90035-34-0    
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.
    Storage:        Store in closed vessels.    
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    
    Melting point:        No data    
    Flash point:        No data    
    Density:        No data    
    Molecular formula: C14H9F3O
    Molecular weight: 250.2
Section 10. Stability and reactivity
    Conditions to avoid: Heat, ?ames and sparks.
    Materials to avoid: Oxidizing agents.
    Possible hazardous combustion products: Carbon monoxide, hydrogen ?uoride.
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

目录

1.基本信息 2.名称与标识符 2.1.名称 2.2.标识符 3.物化性质 3.1.实验特性 3.2.计算特性 4.安全信息 5.海关数据 6.推荐厂家 7.合成路线 8.上下游 9.相关文献 10.参考资料 11.4'-(三氟甲基)联苯-4-甲醛 MSDS
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