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Acetophenone oxime - 95%, high purity , CAS No.613-91-2

COA

Grade & Purity:

≥95%

Cas Number: 613-91-2
Molecular Weight: 135.17
Beilstein Registry Number: 7(3)954
MDL number: MFCD00013931
PubChem CID: 5464950
PubChem SID: 504763852

In stock

Item Number

A467913

Grouped product items
SKU	Size	Availability	Price
A467913-5g	5g	1	$60.90
A467913-25g	25g	1	$117.90
A467913-100g	100g	1	$374.90

Basic Description

Synonyms	SCHEMBL22575895 \| STL282681 \| 1-Phenylethanone oxime \| 1-Phenyl-ethanone oxime \| trans-Acetophenone oxime \| JHNRZXQVBKRYKN-VQHVLOKHSA- \| (E)-1-phenylethan-1-one oxime \| Acetophenone, oxime \| MFCD00013931 \| EN300-15687 \| NSC 52223 \| BRN 1562059 \| DTXSID701
Specifications & Purity	≥95%
Storage Temp	Protected from light,Store at -20°C,Argon charged
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives

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	Ketoximes Organopnictogen compounds Organic oxygen compounds Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Monocyclic benzene moiety - Ketoxime - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - 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
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

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	504763852
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504763852
IUPAC Name	(NE)-N-(1-phenylethylidene)hydroxylamine
INCHI	InChI=1S/C8H9NO/c1-7(9-10)8-5-3-2-4-6-8/h2-6,10H,1H3/b9-7+
InChIKey	JHNRZXQVBKRYKN-VQHVLOKHSA-N
Smiles	CC(=NO)C1=CC=CC=C1
Isomeric SMILES	C/C(=N\O)/C1=CC=CC=C1
WGK Germany	3
RTECS	AM9654000
Molecular Weight	135.17
Beilstein	7(3)954
Reaxy-Rn	1562059
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1562059&ln=

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

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

Analytical Chart:

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6 results found

Lot Number	Certificate Type	Date	Item
C2318672	Certificate of Analysis	Mar 24, 2023	A467913
C2318678	Certificate of Analysis	Mar 24, 2023	A467913
C2318670	Certificate of Analysis	Mar 24, 2023	A467913
C2318668	Certificate of Analysis	Mar 24, 2023	A467913
C2318676	Certificate of Analysis	Mar 24, 2023	A467913
C2318679	Certificate of Analysis	Mar 24, 2023	A467913

Chemical and Physical Properties

Solubility	Slightly soluble in water. Soluble in ethyl alcohol almost transparency.
Sensitivity	Moisture & air sensitive
Boil Point(°C)	118-120 °C/20 mmHg (lit.)
Melt Point(°C)	55-60 °C (lit.)
Molecular Weight	135.160 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	135.068 Da
Monoisotopic Mass	135.068 Da
Topological Polar Surface Area	32.600 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	125.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	1
Covalently-Bonded Unit Count	1

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