Lot numbers can be found on the outside label of a product:
4-Hydroxyacetophenone
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CAS No. 99-93-4
- Cat. No. CS-D1120
- Purity≥97%
- MDL No.MFCD00002359
*For research and further manufacturing use only, not for direct human use.
Structure of 99-93-4
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General Information
- CAS No. 99-93-4
- Cat. No. CS-D1120
- Purity ≥97%
- MDL No. MFCD00002359
- Storage Store at room temperature
- Shipping Room temperature in continental US; may vary elsewhere.
- Molecular Formula C₈H₈O₂
- Molecular Weight 136.15
- Synonym(s) P-hydroxyacetophenone
- SMILES CC(C1=CC=C(O)C=C1)=O
Description
Molecular dynamics simulation study of the two known polymorphs of 4-hydroxyacetophenone (form I, monoclinic; form II, orthorhombic) has been described.4-Hydroxyacetophenone has been used as ketone component in the preparation of 1-aryl-3-phenethylamino-1-propanone hydrochlorides, potential cytotoxic agents, via Mannich reactions.
Application
4-Hydroxyacetophenone serves as a versatile building block in synthetic organic chemistry, enabling efficient access to bioactive heterocycles and pharmaceutical intermediates. Its dual functionality—phenolic hydroxyl and ketone group—supports diverse transformations including electrophilic substitution, enolization, and coupling reactions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scale-up and medicinal chemistry applications.
Synthesis
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Route1
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In-stock
149104-90-5 - ~97%
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In-stock
99-93-4
References
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Gohain, Mukut; Du Plessis, Maretha; Van Tonder, Johannes H.; Bezuidenhoudt, Barend C.B. Tetrahedron Letters, 2014 , vol. 55, # 13 p. 2082 - 2084
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Route2
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155853-28-4 - ~98%
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In-stock
99-93-4
References
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Kirihara, Masayuki; Noguchi, Takuya; Okajima, Nobuhiro; Naito, Sayuri; Ishizuka, Yuki; Harano, Aiko; Tsukiji, Hiroyuki; Takizawa, Ryu Tetrahedron, 2012 , vol. 68, # 5 p. 1515 - 1520
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Route3
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In-stock
99-90-1 - ~94%
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In-stock
99-93-4
References
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Paul, Rajesh; Ali, Md Ashif; Punniyamurthy, Tharmalingam Synthesis, 2010 , # 24 art. no. P11610SS, p. 4268 - 4272
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Safety Information
Download SDS|
GHS Pictogram :
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GHS No : GHS07
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Signal Word : Warning
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UN#: N/A
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Class : N/A
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Packing Group : N/A
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Hazard Statements : H319-H412
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Precautionary Statements : P264-P273-P280-P501
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Quality Control
Computational Chemistry Data
- TPSA 37.3
- LogP 1.5948
- H_Acceptors 2
- H_Donors 1
- Rotatable_Bonds 1
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