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Allylbenzene structure
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Allylbenzene

TL;DR: Allylbenzene (CAS 300-57-2) is a chemical compound with molecular formula C9H10 and molecular weight 118.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

prop-2-enylbenzene

Also Known As: ALLYLBENZENE, 2-Propenylbenzene, 3-Phenylpropene, 1-Benzylethene, 3-Phenyl-1-propene

CAS Number
300-57-2
Molecular Formula
C9H10
Molecular Weight
118.07825 g/mol
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Application Areas

Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1156 patents) Analytical Reagents (953 patents) Biotechnology (894 patents) Catalysts (2046 patents) Coatings & Adhesives (11136 patents)

Technical Specifications

Molecular FormulaC9H10
Molecular Weight118.07825 g/mol
XLogP3.2
Topological Polar Surface Area (TPSA)0.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors0
Rotatable Bonds2
Exact Mass118.07825 Da
Heavy Atoms9
Complexity78.0
Vapor Pressure1.69 [mmHg]
SMILESC=CCC1=CC=CC=C1
InChIKeyHJWLCRVIBGQPNF-UHFFFAOYSA-N

Product Description

Applications: Allylbenzene is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Allylbenzene (CAS 300-57-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Allylbenzene (CAS 300-57-2) is a polymer intermediate with the molecular formula C9H10 and a molecular weight of 118.08 g/mol. It is also known as ALLYLBENZENE and 2-Propenylbenzene.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of Allylbenzene

XLogP
3.2
TPSA (Topological Polar Surface Area)
0.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
0
Rotatable Bonds
2
Heavy Atoms
9
Complexity
78.0
Exact Mass
118.07825
Monoisotopic Mass
118.07825
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Allylbenzene

The XLogP value of 3.2 indicates that Allylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Allylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Allylbenzene has 0 hydrogen bond donor(s) and 0 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of Allylbenzene?

The CAS number of Allylbenzene is 300-57-2.

What is the molecular formula of Allylbenzene?

The molecular formula of Allylbenzene is C9H10.

What is the molecular weight of Allylbenzene?

The molecular weight of Allylbenzene is 118.07825 g/mol.

What are the applications of Allylbenzene?

Allylbenzene is used in polymer chemistry and functional materials synthesis, as well as coating, adhesive, and surface treatment formulations. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Allylbenzene (CAS 300-57-2) with custom synthesis available...

Where can I buy Allylbenzene?

You can request a quote for Allylbenzene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Allylbenzene?

Yes, CoreyChem provides custom synthesis services for Allylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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