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Allylbenzene - 99%, high purity , CAS No.300-57-2
Basic Description
Synonyms
3-Phenyl-1-propene | FD14063 | UNII-3VT7C9MEQ9 | Benzene, 2-propenyl- | F0001-0925 | (prop-2-en-1-yl)benzene | STL268883 | 2-Propen-1-yl-benzene | Benzene, 2-propen-1-yl- | 3VT7C9MEQ9 | EINECS 206-095-7 | DTXSID00861855 | NSC18609 | NSC-18609 | Allylbenze
Specifications & Purity
≥99%
Storage Temp
Room temperature
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzene and substituted derivatives
Alternative Parents
Aromatic hydrocarbons Cyclic olefins
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Monocyclic benzene moiety - Aromatic hydrocarbon - Cyclic olefin - Unsaturated hydrocarbon - Olefin - Hydrocarbon - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
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.
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
prop-2-enylbenzene
INCHI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-5,7-8H,1,6H2
InChIKey
HJWLCRVIBGQPNF-UHFFFAOYSA-N
Smiles
C=CCC1=CC=CC=C1
Isomeric SMILES
C=CCC1=CC=CC=C1
WGK Germany
3
RTECS
CY2275000
UN Number
3295
Molecular Weight
118.18
Beilstein
1098501
Reaxy-Rn
1098501
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1098501&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in ethanol, ether, benzene, insoluble in water
Refractive Index
1.511
Flash Point(°F)
92 °F
Flash Point(°C)
33℃
Boil Point(°C)
156-157°C
Melt Point(°C)
557 °C
Molecular Weight
118.180 g/mol
XLogP3
3.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
2
Exact Mass
118.078 Da
Monoisotopic Mass
118.078 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
78.000
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
Citations of This Product
1.
Dong Li, Kaixuan Wang, Jiahong Tang, Yizhou Zhao, Hanan Elhaes, Muhammad Tahir, Medhat A. Ibrahim, Yujing Li.
(2023)
Efficient photosensitized singlet oxygen generation in two-dimensional perovskite nanosheets via energy transfer. APPLIED SURFACE SCIENCE,
613
(155991).
2.
Dingxuan Ma, Yaowen Zhang, Huihui Zhao, Kang Liu, Lei Wang.
(2022)
Directing two copper porphyrin based polymers as highly efficient heterogeneous catalysts for styrene oxidation. APPLIED SURFACE SCIENCE,
571
(151363).
3.
Gaoyi Yi, Jingxia He, Baian Ji, Die Gao, Kailian Zhang, Lujun Wang, Jing Zeng, Zhining Xia, Qifeng Fu.
(2020)
Solvothermal-assisted in situ rapid growth of octadecylamine functionalized polydopamine-based permanent coating as stationary phase for open-tubular capillary electrochromatography. JOURNAL OF CHROMATOGRAPHY A,
1628
(461436).
4.
Yingpeng Huo, Jiwen Hu, Yuanyuan Tu, Zhenzhu Huang, Shudong Lin, Yangfei Hu, Chao Feng.
(2020)
Platinum-Imidazolyl Schiff Base Complexes Immobilized in Periodic Mesoporous Organosilica Frameworks as Catalysts for Hydrosilylation. APPLIED ORGANOMETALLIC CHEMISTRY,
34
(8):
(e5697).
5.
Hui Lin, Yanhong Tang, Shuang Dong, Ruibo Lang, Hongge Chen.
(2020)
A new monooxygenase from Herbaspirillum huttiense catalyzed highly enantioselective epoxidation of allylbenzenes and allylic alcohols. Catalysis Science & Technology,
10
(7):
(2145-2151).
6.
Xueping Tao, Mengting Su, Panpan Chen, Meiting Yan, Dan Wang, Lan Xia, Li Rao, Zhining Xia, Qifeng Fu.
(2024)
Zirconium(IV) coordination-mediated rapid and versatile post-modification of polydopamine coating as stationary phase for open-tubular capillary electrochromatography. JOURNAL OF CHROMATOGRAPHY A,
1736
(465415).
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6 Citations