Difenilmetano - CP, ≥98% , CAS No.101-81-5

CAS: 101-81-5 Cat. No.: D105755 Peso molecular: 168.23 Beilstein Registry Number: 1904982 Número EC: 202-978-6

GRADE & PURITY CP, ≥98%

Synonyms

DTXCID9021891 | AI3-28021-X | EINECS 202-978-6 | EN300-21054 | Benzylbenzene | benzyl-benzene | Diphenylmethane, 99% | E75810 | Toluene, .alpha.-phenyl- | Diphenylmethan | Toluene, alpha-phenyl- | DTXSID1041891 | Tox21_301147 | alpha-phenyltoluene | Ditan

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DTXCID9021891 | AI3-28021-X | EINECS 202-978-6 | EN300-21054 | Benzylbenzene | benzyl-benzene | Diphenylmethane, 99% | E75810 | Toluene, .alpha.-phenyl- | Diphenylmethan | Toluene, alpha-phenyl- | DTXSID1041891 | Tox21_301147 | alpha-phenyltoluene | Ditan

Especificaciones y pureza

CP, ≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Grado

CP

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 488180492
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180492
• Sonrisas canónicas: C1=CC=C(C=C1)CC2=CC=CC=C2
• IUPAC Name: benzylbenzene
• InChIKey: CZZYITDELCSZES-UHFFFAOYSA-N
• INCHI: 1S/C13H12/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1-10H,11H2
• Isómeros SMILES: C1=CC=C(C=C1)CC2=CC=CC=C2
• WGK Alemania: 2
• RTECS: DA4976500
• Peso molecular: 168.23
• Beilstein: 1904982
• Reaxy-Rn: 1904982
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1904982&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Diphenylmethanes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Diphenylmethanes
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylmethanes
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylmethane - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups.
• External Descriptors: diarylmethane

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

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in ethanol, ether, chloroform, etc.
• Punto de congelación (°C): 25 °C
• Índice de refracción: 1.5753
• Punto de inflamación (°F): 260.6℉
• Punto de inflamación (°C): 127℃
• Punto de ebullición (°C): 264.3°C
• Punto de fusión (°C): 22-24°C
• Peso molecular: 168.230 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 168.094 Da
• Monoisotopic Mass: 168.094 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 111.000
• 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

1. Qifeng Yang, Yiming Mo.  (2023)  Direct Electrochemical Oxidation of Benzylic C–H Bond by La2O3@C/CP Composite Electrode with Water as the Green Oxygen Source.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.3c02229]

2. Haobo Xie, Mingu Zhou, Xiaorui Cui, Chao Li, Yongjun Wu, Xinjuan Luo, Mao-Sen Yuan.  (2023)  A metal-complex based chemosensor for the detection of riboflavin and folate.  SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY,      [PMID:37678046] [10.1016/j.saa.2023.123321]

3. Yang Feng, Min Sun, Mingxia Sun, Jiaqing Feng, Haili Sun, Juanjuan Feng.  (2022)  Extraction performance-structure relationship of polyamidoamine dendrimers on silica for online solid-phase extraction of organic pollutants.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:35576765] [10.1016/j.chroma.2022.463132]

4. Chong Wang, Yuchen Hou, Jiajia Cheng, Mei-Jin Lin, Xinchen Wang.  (2021)  Biomimetic donor-acceptor motifs in carbon nitrides: Enhancing red-light photocatalytic selective oxidation by rational surface engineering.  APPLIED CATALYSIS B-ENVIRONMENTAL,      [PMID:] [10.1016/j.apcatb.2021.120259]

5. Liyun Huang, Kui Wu, Qian He, Chao Xiong, Tao Gan, Xiaohui He, Hongbing Ji.  (2021)  Quasi-continuous synthesis of iron single atom catalysts via a microcapsule pyrolysis strategy.  AICHE JOURNAL,  67  (6): (e17197).  [PMID:] [10.1002/aic.17197]

6. Xingfei Tang, Wentao Ding, Hao Li.  (2020)  Improved hydrodeoxygenation of bio-oil model compounds with polymethylhydrosiloxane by Brønsted acidic zeolites.  FUEL,      [PMID:] [10.1016/j.fuel.2020.119883]

7. Shanshan Jie, Congqiang Yang, Yuan Chen, Zhigang Liu.  (2018)  Facile synthesis of ultra-stable Co-N-C catalysts using cobalt porphyrin and peptides as precursors for selective oxidation of ethylbenzene.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2018.08.007]

8. Yuan Chen, Shanshan Jie, Congqiang Yang, Zhigang Liu.  (2017)  Active and efficient Co-N/C catalysts derived from cobalt porphyrin for selective oxidation of alkylaromatics.  APPLIED SURFACE SCIENCE,      [PMID:] [10.1016/j.apsusc.2017.04.246]

9. Zhong-Qiu Liu, Xian-Yong Wei, Xiao Zhou, Yu-Chuan Xiao, Zhan-Ku Li, Xian-Hou Guo, Sheng-Kang Wang, Yang-Yang Zhang, Zhi-Min Zong, Feng-Yun Ma, Jing-Mei Liu.  (2017)  An acidic ionic liquid modified microfiber attapulgite-supported nickel for catalytic hydroconversion of α,ω-diarylalkanes.  FUEL PROCESSING TECHNOLOGY,      [PMID:] [10.1016/j.fuproc.2017.03.011]

10. Miao Luo, Sheng Wang, Meiling Wang, Shaorong Huang, Chengpeng Li, Lin Chen, Xiang Ma.  (2016)  Novel organogel harnessing Excited-State Intramolecular Proton Transfer process with aggregation induced emission and photochromism.  DYES AND PIGMENTS,      [PMID:] [10.1016/j.dyepig.2016.04.036]

11. MIAO LUO, XIE ZHOU, ZHENGUO CHI, CHUNPING MA, YI ZHANG, SIWEI LIU, JIARUI XU.  (2013)  SYNTHESIS AND PROPERTIES OF GELATORS DERIVED FROM TETRAPHENYLETHYLENE AND GALLIC ACID WITH AGGREGATION-INDUCED EMISSION.  Journal of Molecular and Engineering Materials,      [PMID:] [10.1142/S2251237313400078]

12. Xuan Yan, Yucheng Liu, Zhengmeng Hou, Lina Yuan, Jun Yang, Wenxin Dong.  (2024)  Cleaning Oil-Based Drilling Cuttings with Synthetic Gemini Surfactants.  ACS Omega,      [PMID:38463275] [10.1021/acsomega.3c08618]

13. Min Sun, Jiaqing Feng, Yang Feng, Xubo Xin, Yali Ding, Juanjuan Feng.  (2024)  Core-shell silica@pyridyl conjugated microporous polymer as a stationary phase for high performance liquid chromatography.  ANALYTICA CHIMICA ACTA,      [PMID:38309855] [10.1016/j.aca.2024.342258]

14. Wenhua Hou, Lishuai Zong, Linyan Zhu, Jiaming Wang, Yabin Zhang, Zhansheng Li, Jinyan Wang, Xigao Jian.  (2024)  Design and synthesis of low-dieclectric polyaryl ethers containing bulky tetraphenyl vinyl pendant group.  POLYMERS FOR ADVANCED TECHNOLOGIES,  35  (4): (e6357).  [PMID:] [10.1002/pat.6357]

15. Meifang Cao, Yuqiao Ma, Tao Ruan, Lifeng Li, Bo Chen, Xueqing Qiu, Di Fan, Xinping Ouyang.  (2024)  Highly efficient hydrogenolysis of lignin into monophenol over an atomically dispersed platinum catalyst.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2024.150020]

16. Xiaomin Li, Mingxia Sun, Yang Feng, Yanming Liu, Yanli Wang, Juanjuan Feng, Min Sun.  (2024)  Ionic liquid-functionalized covalent organic frameworks on the surface of silica for online solid-phase extraction.  JOURNAL OF CHROMATOGRAPHY A,      [PMID:39096780] [10.1016/j.chroma.2024.465200]

17. Weichuan Xu, Hong Huang, Lingling Bi, Haimei Xu, Zhichao Miao, Mei Wu.  (2024)  One-pot fabrication of vanadium-doped ordered mesoporous zirconium oxophosphate catalyst for the synthesis of carbonyl compounds.  NEW JOURNAL OF CHEMISTRY,  48  (24): (10820-10829).  [PMID:] [10.1039/D4NJ01661K]

18. Jingrong Li, Ying Wang, Tingting Xiao, Xinluona Su, Haiyang Cheng, Fengyu Zhao.  (2025)  Designing a Ru/TiO2 Catalyst with Ru Flat Island for Hydrogenation of Aromatic Compounds.  ACS Catalysis,      [PMID:] [10.1021/acscatal.5c03245]

19. Guo-Shan Zhu, Ren-Jie Hui, Jun Hu.  (2025)  Microdroplet Stabilization Enabled Direct Mass Spectrometric Identification of Electrogenerated Transient Carbocation Intermediates.  Advanced Science,      [PMID:41355586] [10.1002/advs.202518157]

20. Zong-Pin Fu, Yun-Peng Zhao, Yu-Fa Wu, Qi-Jie Zhou, Shu-Ting Hu, Le-Le Qiu, Fang-Jing Liu, Mei Zhong, Jing Liang, Jing-Pei Cao.  (2026)  Interfacial oxygen vacancies and Cu-Ni bimetallic sites synergistically enhance the catalytic hydroconversion of soluble portion from lignite thermal dissolution.  JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS,      [PMID:] [10.1016/j.jaap.2026.107623]