4-tert-Butylpyridine - ≥98% , CAS No.3978-81-2

CAS: 3978-81-2 Cat. No.: T399526 Peso molecular: 135.21 Beilstein Registry Number: 107594 Número EC: 223-614-2

GRADE & PURITY ≥98%

Synonyms

NSC5104 | NSC-5104 | UNII-IL8V02163I | p-tert-Butyl pyridine | MFCD00006435 | 4-t-butylpyridine | 4-tertbutylpyridine | 4-tert-Butyl-pyridine | 4-(TERT-BUTYL)PYRIDINE | p-tert-Butylpyridine | 4-(1,1-Dimethylethyl)pyridine

Storage

Room temperature,Argon charged

Shipped In

Normal

Descripción general

4-tert-Butylpyridine is specific additive of redox electrolyte in dye sensitized solar cells and dye-sensitized TiO2 solar cells
4-tert-Butylpyridine was used in composition of electrolyte for dye-sensitized solar cell

Specifications

Sinónimos

NSC5104 | NSC-5104 | UNII-IL8V02163I | p-tert-Butyl pyridine | MFCD00006435 | 4-t-butylpyridine | 4-tertbutylpyridine | 4-tert-Butyl-pyridine | 4-(TERT-BUTYL)PYRIDINE | p-tert-Butylpyridine | 4-(1, 1-Dimethylethyl)pyridine

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488182570
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182570
• Sonrisas canónicas: CC(C)(C)C1=CC=NC=C1
• IUPAC Name: 4-tert-butylpyridine
• InChIKey: YSHMQTRICHYLGF-UHFFFAOYSA-N
• INCHI: 1S/C9H13N/c1-9(2,3)8-4-6-10-7-5-8/h4-7H,1-3H3
• Isómeros SMILES: CC(C)(C)C1=CC=NC=C1
• WGK Alemania: 3
• Peso molecular: 135.21
• Beilstein: 107594
• Reaxy-Rn: 107594
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=107594&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Insoluble in water.
• Sensibilidad: air sensitive
• Índice de refracción: 1.494-1.496
• Punto de inflamación (°F): 152.6 °F
• Punto de inflamación (°C): 63 °C
• Punto de ebullición (°C): 196-197°C
• Punto de fusión (°C): -40 °C
• Peso molecular: 135.210 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 135.105 Da
• Monoisotopic Mass: 135.105 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

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67. Lin Fan, Yi Ding, Jingshan Luo, Biao Shi, Xin Yao, Changchun Wei, Dekun Zhang, Guangcai Wang, Yun Sheng, Yifeng Chen, Anders Hagfeldt, Ying Zhao, Xiaodan Zhang.  (2017)  Elucidating the role of chlorine in perovskite solar cells.  Journal of Materials Chemistry A,  5  (16): (7423-7432).  [PMID:] [10.1039/C7TA00973A]

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74. Liangbin Xiong, Minchao Qin, Guang Yang, Yaxiong Guo, Hongwei Lei, Qin Liu, Weijun Ke, Hong Tao, Pingli Qin, Songzhan Li, Huaqing Yu, Guojia Fang.  (2016)  Performance enhancement of high temperature SnO2-based planar perovskite solar cells: electrical characterization and understanding of the mechanism.  Journal of Materials Chemistry A,  4  (21): (8374-8383).  [PMID:] [10.1039/C6TA01839D]

75. Shimao Wang, Weiwei Dong, Xiaodong Fang, Qingli Zhang, Shu Zhou, Zanhong Deng, Ruhua Tao, Jingzhen Shao, Rui Xia, Chao Song, Linhua Hu, Jun Zhu.  (2016)  Credible evidence for the passivation effect of remnant PbI2 in CH3NH3PbI3 films in improving the performance of perovskite solar cells.  Nanoscale,  8  (12): (6600-6608).  [PMID:26939835] [10.1039/C5NR08344C]

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77. Weidong Zhu, Chunxiong Bao, Faming Li, Tao Yu, Hao Gao, Yong Yi, Jie Yang, Gao Fu, Xiaoxin Zhou, Zhigang Zou.  (2015)  A halide exchange engineering for CH3NH3PbI3−xBrx perovskite solar cells with high performance and stability.  Nano Energy,      [PMID:] [10.1016/j.nanoen.2015.11.024]

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98. Xiaojun Pan, Xinmiao Zhang, Gang Wang, Hongye Li, Jiang Li, Jianqiao Song, Shimin Wang, Mengjing Jin, Jinyuan Zhou, Lian Zhou.  (2024)  A NiO@Ti based linear photoelectrochemical type ultraviolet photodetector.  SENSORS AND ACTUATORS A-PHYSICAL,      [PMID:] [10.1016/j.sna.2024.115012]

99. Chen Xiao, Shu Xiaoxuan, Zhou Jiacheng, Wan Lei, Xiao Peng, Fu Yuchen, Ye Junzhi, Huang Yi-Teng, Yan Bin, Xue Dingjiang, Chen Tao, Chen Jiejie, Hoye Robert L. Z., Zhou Ru.  (2024)  Additive engineering for Sb2S3 indoor photovoltaics with efficiency exceeding 17%.  Light-Science & Applications,  13  (1): (1-15).  [PMID:39358339] [10.1038/s41377-024-01620-0]

100. Yaqi Hong, Song Zhang, Hu Shen, Xingyuan Tian, Bin Zhang, Xin Zhou, Rong Liu, Ying Liu, Yicong Gao, Ruirui Cao, Huilin Li, Fumin Li, Zhitao Shen, Chong Chen.  (2024)  Bathocuproine, an Old Dog New Tricks for Boosting the Performance of Perovskite Solar Cells.  Materials Today Energy,      [PMID:] [10.1016/j.mtener.2024.101554]

101. Haoran Yang, Kai Wu, Haikuo Guo, Jiali Wei, Jingwei Guo, Rui Liu, Xin Wang, Yali Bai, Yue Xu, Tiantian Li, Chengjun Zhu, Fuhua Hou.  (2024)  Crystallinity Control and Strain Release in Wide-Bandgap Perovskite Film via Seed-Induced Growth for Efficient Photovoltaics.  ACS Applied Materials & Interfaces,      [PMID:39088734] [10.1021/acsami.4c08445]

102. Jie Lian, Wenyu Gong, Jianing Guo, Mingxing Wu.  (2024)  Design highly effective B or N doped mesoporous carbon fibers catalysts for I3-/I- redox couple regeneration in carbon-based dye-sensitized solar cells.  Arabian Journal of Chemistry,      [PMID:] [10.1016/j.arabjc.2024.105817]

103. Cong Liu, Anweng Gong, Chen Zuo, Tao Liu, Xiaoyang Liang, Donglou Ren, Kai Shen, Jianzha Zheng, Qifan Xue, Zhiqiang Li, Ruud E. I. Schropp, Bingsuo Zou, Yaohua Mai.  (2024)  Heterojunction lithiation engineering and diffusion-induced defect passivation for highly efficient Sb2(S,Se)3 solar cells.  Energy & Environmental Science,      [PMID:] [10.1039/D4EE03135K]

104. Peng Wang, Shafidah Shafian, Feng Qiu, Xiao Zhang, Yuping Zhao, Bin Wu, Kyungkon Kim, Yong Hua, Lin Xie.  (2024)  Improving redox reactions of Spiro-OMeTAD via p-type molecular scaffold to reduce energy loss at Ag-electrode in perovskite solar cells.  Journal of Energy Chemistry,      [PMID:] [10.1016/j.jechem.2024.10.027]

105. Yi Chen, Zhu Ma, Tangjie Yu, Zhuowei Du, Wei You, Junbo Yang, Shanyue Hou, Yanlin Li, Qianyu Liu, Wenwen Li, Qian Zhang, Hao Du, Yixian Li, Fuchun Gou, Qiang Yang, Guoming Li, Yuelong Huang, Kuan Sun, Yaohua Mai, Wei Long.  (2024)  Interfacial passivation with 2-aminopyridine for effective perovskite solar cells.  MATERIALS SCIENCE IN SEMICONDUCTOR PROCESSING,      [PMID:] [10.1016/j.mssp.2024.108114]

106. Shengwen Zou, Jingjing Zhang, Yi Xin, Jinlong Jin, Guangxin Liu, Xiaojun Yan, Jianmei Huang.  (2025)  Moisture-inhibited deprotonation at the buried interface enables efficient perovskite solar cells with a high fill factor of over 86%.  Energy & Environmental Science,      [PMID:] [10.1039/D4EE04555F]

107. Rufeng Wang, Jian Ni, Jiayi Guan, Shuai Zhang, Miao Yan, Sen Li, Yaofang Zhang, Juan Li, Hongkun Cai, Jianjun Zhang.  (2024)  Tailoring Surface Chemistry of CsPbI3 Perovskite Quantum Dots Using Multifunctional Ligand Enables Efficient and Stable Solar Cells.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.4c05956]

108. Ang Gao, Yong Li, Yinjing He, Can Zheng, Lidan Liu, Zhike Liu, Dapeng Wang, Shengzhong Frank Liu.  (2025)  Targeted Anchoring of All Cations with 5-Bromopyridine-3-sulfonic Acid for High-Performance Perovskite Solar Cells.  ACS Applied Materials & Interfaces,      [PMID:39994003] [10.1021/acsami.5c00581]

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110. Zhang Qi, Zhao Qiangqiang, Wang Han, Yao Yiguo, Li Lei, Wei Yulin, Xu Ruida, Zhang Chenyang, Shalenov Erik O., Tu Yongguang, Wang Kai, Xiao Mingjia.  (2025)  Tuning Isomerism Effect in Organic Bulk Additives Enables Efficient and Stable Perovskite Solar Cells.  Nano-Micro Letters,  17  (1): (1-13).  [PMID:39792240] [10.1007/s40820-024-01613-z]

111. Xiaojuan Xu, Xinyu Zhang, Zixiang Zhang, Zerui Wang, Chunyan Yang.  (2025)  SnO2/In2S3 Dual Electron Transport Layer for Interface Defect Regulation and Band Engineering in Sb2S3 Solar Cells.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.5c02099]

112. Bin Zhang, Xingyuan Tian, Yingying Li, Jian Song, Song Zhang, Zhitao Shen, Rong Liu, Ying Liu, Fumin Li.  (2025)  Kinetically controlled growth and defect suppression via 1,3-dimethylthiourea for efficient and stable perovskite solar cells.  Materials Today Communications,      [PMID:] [10.1016/j.mtcomm.2025.113744]

113. Zhe Fan, Xu Chen, Xiaoqing Shi, Qiwei Jiang, Yang Zhang.  (2023)  Facile synthesis of NiS nanowires via ion exchange reaction as an efficient counter electrode for dye-sensitized solar cells.  Journal of Materials Chemistry C,  11  (16): (5348-5353).  [PMID:] [10.1039/D2TC05480A]

114. Xu Chen, Yang Zhang, Yashuai Pang, Qiwei Jiang.  (2020)  Facile Synthesis of Nanoporous NiS Film with Inverse Opal Structure as Efficient Counter Electrode for DSSCs.  Materials,  13  (20): (4647).  [PMID:33080967] [10.3390/ma13204647]

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116. Ju Qiu, Dayong He, Rui Zhao, Bolun Sun, He Ji, Nan Zhang, Yanzi Li, Xiaofeng Lu, Ce Wang.  (2018)  Fabrication of highly dispersed ultrafine Co9S8 nanoparticles on carbon nanofibers as low-cost counter electrode for dye-sensitized solar cells.  JOURNAL OF COLLOID AND INTERFACE SCIENCE,      [PMID:29579566] [10.1016/j.jcis.2018.03.042]

117. Shengwen Zou, Yi Xin, Jinlong Jin, Zhenchao Lin, Yayan He, Jie Liang, Xiaojun Yan, Jianmei Huang.  (2025)  Inverse Opal Photonic Crystal Structured Bifacial-Iridescent Efficient Perovskite Solar Cells and Modules.  ADVANCED MATERIALS,      [PMID:40231617] [10.1002/adma.202420130]

118. Siwei Cao, Li Yong, Jiuzhou Liu, Longmei Ma, Zhe Yang, Yichi Zhang, Jiamin Chen, Haoran Xu, Yedong Qin, Wenjing Zhao, Qingquan Han, Jiahe Qu, Jiatian Song, Peining Chen, Zhengfeng Zhu, Huisheng Peng.  (2025)  Axial Channel for Gel Electrolyte to Produce Efficient Fiber Dye-Sensitized Solar Cell.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202522715]

119. Bo Zhou, Pei Zhao, Junxue Guo, Shuaifeng Hu, Xin Guo, Jiewei Liu, Can Li.  (2025)  Unveiling the Importance of Nondominant Facets in (111)-Dominated Perovskite Films.  ACS Applied Materials & Interfaces,      [PMID:40170463] [10.1021/acsami.5c01238]

120. Song Zhang, Yucong Zhou, Zhitao Shen, Yingying Li, Jian Song, Yicong Gao, Zezhi Wang, Bohao Zhang, Chong Chen, Rong Liu, Ying Liu, Ruirui Cao, Huilin Li, Fumin Li.  (2025)  High-efficiency and stable perovskite solar cells via bidentate chelation for facet-engineered growth of FAPbI3 (111) crystals.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.164079]

121. Maoyuan Zhang, Tianyu Zhao, Shuaishuai Fang, Guanying Chen.  (2025)  Enhancement of the Ultraviolet Stability of Perovskite Solar by the Interface Modified with Cesium Chloride.  Advanced Photonics Research,      [PMID:] [10.1002/adpr.202500156]

122. Gong Anwen, Liu Cong, Yang Jiexi, Li Binghuan, Yang Shilin, Yang Rongshan, Wang Yousheng, Shen Kai, Xue Qifan, Li Zhiqiang, Wang Jing, Zou Bingsuo, Mai Yaohua.  (2026)  Field-effect passivation for minimized voltage loss in highly efficient antimony selenosulfide solar cells.  Nature Communications,  16  (1): (11082).  [PMID:41495043] [10.1038/s41467-025-67334-y]

123. Yi Xin, Shengwen Zou, Jinlong Jin, Jingjing Zhang, Shiqi Lu, Jian Hua, Xiaojun Yan, Jianmei Huang.  (2026)  UV-ozone passivated semi-transparent inorganic perovskite solar cells achieving 5.44% light utilization efficiency.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2026.174051]

124. Min Fan, Yanqing Wang, Hui Dai, Dongchen Guo, Zhiping Fang, Chenrui Ji, Yifan Sun, Xiaochen Feng, Tongqi Ye, Chengwu Shi.  (2026)  Disulfide-Bond-Containing Polyurethane as an Interface Layer for Efficient and Stable Antimony Selenosulfide Solar Cells.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.6c00478]

125. Hao Gao, Weihong Fang, Zicong Xu, Yichuan Chen, Jiayu Huang, Yuehui Hu, Wenfu Gu, Zhuoran Xu, Hua Zhu.  (2026)  Low-Temperature Fabrication of Flexible Perovskite Solar Cells in Ambient Air with Enhanced Stability.  LANGMUIR,      [PMID:] [10.1021/acs.langmuir.6c00104]