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2-Phenylimidazoline - >98.0%(HPLC), high purity , CAS No.936-49-2
Basic Description
Synonyms
STK367860 | STR05026 | BRN 0119250 | W-100236 | DTXSID5061322 | EC 213-313-4 | FT-0762475 | NSC 54747 | NSC-54747 | Z283858536 | 2-Phenyl-4,5-dihydroimidazole | 2-Imidazoline, 2-phenyl- (6CI,7CI,8CI); 2-Phenyl-2-imidazoline | 2-Phenyl-2-imidazoline | 2-Ph
Specifications & Purity
≥98%(HPLC)
Shipped In
Normal
Product Description
Catalyst for: . N-arylation of indoles . Epoxy-carbonyl reactions
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
Imidolactams Imidazolines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxamidines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Imidolactam - Monocyclic benzene moiety - 2-imidazoline - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic 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(Human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
Pubchem Sid
504752477
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752477
IUPAC Name
2-phenyl-4,5-dihydro-1H-imidazole
INCHI
InChI=1S/C9H10N2/c1-2-4-8(5-3-1)9-10-6-7-11-9/h1-5H,6-7H2,(H,10,11)
InChIKey
BKCCAYLNRIRKDJ-UHFFFAOYSA-N
Smiles
C1CN=C(N1)C2=CC=CC=C2
Isomeric SMILES
C1CN=C(N1)C2=CC=CC=C2
WGK Germany
3
RTECS
NJ4395500
PubChem CID
13639
Molecular Weight
146.19
Beilstein
119250
Reaxy-Rn
119250
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Flash Point(°F)
394°F
Flash Point(°C)
201℃
Boil Point(°C)
181 °C/20 mmHg
Melt Point(°C)
94 -104 °C
Molecular Weight
146.190 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
1
Exact Mass
146.084 Da
Monoisotopic Mass
146.084 Da
Topological Polar Surface Area
24.400 Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
157.000
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.
Xiao-Ze Ma, Guang-Yi Cai, Xiang-Kang Cao, Xin-Xin Zhang, Ling-Dong Meng, Ze-Hua Dong.
(2023)
Synergistic inhibition of azoles compounds on chloride-induced atmospheric corrosion of copper: Experimental and theoretical characterization. CORROSION SCIENCE,
218
(111161).
2.
Shan Wan, ZeHua Dong, Xinpeng Guo.
(2021)
Investigation on initial atmospheric corrosion of copper and inhibition performance of 2-phenyl imidazoline based on electrical resistance sensors. MATERIALS CHEMISTRY AND PHYSICS,
262
(124321).
3.
Songlin Chen, Zhihao Shen, Zhengyong Song, Guang Han, Qicheng Feng.
(2025)
Selective flotation separation of chalcopyrite from pyrite using 2-phenylimidazoline as a collector: Flotation performance and surface adsorption mechanism. Journal of Environmental Chemical Engineering,
13
(116200).
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3 Citations
A2415498