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3-Acetylphenanthrene - technical grade,90%, high purity , CAS No.2039-76-1

COA

Grade & Purity:

technical grade

≥90%

Cas Number: 2039-76-1
Molecular Weight: 220.27
EC Number: 218-020-5
MDL number: MFCD00001169
PubChem CID: 74867
PubChem SID: 488184993

In stock

Item Number

A138450

Grouped product items
SKU	Size	Availability	Price
A138450-250mg	250mg	3	$10.90
A138450-1g	1g	9	$30.90
A138450-5g	5g	10	$118.90
A138450-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$534.90

Basic Description

Synonyms	3-Acetylphenanthrene \| 2039-76-1 \| 1-(phenanthren-3-yl)ethanone \| Ethanone, 1-(3-phenanthrenyl)- \| 1-phenanthren-3-ylethanone \| 1-(3-Phenanthryl)ethanone \| Methyl 3-phenanthryl ketone \| Ketone, methyl 3-phenanthryl \| DTXSID9049243 \| NSC-3192 \| 1-(phenanthren-3-yl)ethan-1-one
Specifications & Purity	technical grade, ≥90%
Shipped In	Normal
Grade	technical grade

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Phenanthrenes and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Phenanthrenes and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Phenanthrenes and derivatives
Alternative Parents	Naphthalenes Acetophenones Aryl alkyl ketones Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homopolycyclic compounds
Substituents	Phenanthrene - Naphthalene - Acetophenone - Aryl alkyl ketone - Aryl ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homopolycyclic compound
Description	This compound belongs to the class of organic compounds known as phenanthrenes and derivatives. These are polycyclic compounds containing a phenanthrene moiety, which is a tricyclic aromatic compound with three non-linearly fused benzene.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	488184993
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488184993
IUPAC Name	1-phenanthren-3-ylethanone
INCHI	InChI=1S/C16H12O/c1-11(17)14-9-8-13-7-6-12-4-2-3-5-15(12)16(13)10-14/h2-10H,1H3
InChIKey	JKVNPRNAHRHQDD-UHFFFAOYSA-N
Smiles	CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
Isomeric SMILES	CC(=O)C1=CC2=C(C=CC3=CC=CC=C32)C=C1
WGK Germany	3
Molecular Weight	220.27
Reaxy-Rn	2329395
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2329395&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

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10 results found

Lot Number	Certificate Type	Date	Item
C2519342	Certificate of Analysis	Mar 27, 2025	A138450
E2315419	Certificate of Analysis	Feb 11, 2025	A138450
E2315414	Certificate of Analysis	Feb 11, 2025	A138450
H2201066	Certificate of Analysis	Aug 08, 2022	A138450
H2201069	Certificate of Analysis	Aug 08, 2022	A138450
E2315408	Certificate of Analysis	Aug 08, 2022	A138450
I2017115	Certificate of Analysis	Jul 21, 2022	A138450
I2017114	Certificate of Analysis	Jul 21, 2022	A138450
I2227095	Certificate of Analysis	Jul 19, 2022	A138450
I2227096	Certificate of Analysis	Jul 19, 2022	A138450

Chemical and Physical Properties

Melt Point(°C)	67-71°C
Molecular Weight	220.260 g/mol
XLogP3	4.100
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	1
Exact Mass	220.089 Da
Monoisotopic Mass	220.089 Da
Topological Polar Surface Area	17.100 Å²
Heavy Atom Count	17
Formal Charge	0
Complexity	296.000
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

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