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3-Chlorophenylglyoxal hydrate - 95%, high purity , CAS No.177288-16-3

COA

Grade & Purity:

≥95%

Cas Number: 177288-16-3
Molecular Weight: 186.59
PubChem CID: 22421165

In stock

Item Number

C191598

Grouped product items
SKU	Size	Availability	Price
C191598-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$103.90
C191598-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$303.90
C191598-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$907.90

Discover 3-Chlorophenylglyoxal hydrate by Aladdin Scientific in 95% for only $103.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	3-Chlorophenylglyoxal hydrate \| 177288-16-3 \| 2-(3-chlorophenyl)-2-oxoacetaldehyde;hydrate \| MFCD08705874 \| 1082715-90-9 \| 2-(3-chlorophenyl)-2-oxoacetaldehyde hydrate \| 2-(3-Chlorophenyl)-2-oxo-acetaldehyde hydrate \| SCHEMBL8938090 \| DTXSID80625634 \| MFCD05864649 \| AKOS0160
Specifications & Purity	≥95%
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylacetaldehydes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylacetaldehydes
Alternative Parents	Benzoyl derivatives Aryl ketones Chlorobenzenes Aryl chlorides Alpha ketoaldehydes Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylacetaldehyde - Benzoyl - Aryl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Alpha-ketoaldehyde - Ketone - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Aldehyde - Organochloride - Organooxygen compound - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylacetaldehydes. These are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde.
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

IUPAC Name	2-(3-chlorophenyl)-2-oxoacetaldehyde;hydrate
INCHI	InChI=1S/C8H5ClO2.H2O/c9-7-3-1-2-6(4-7)8(11)5-10;/h1-5H;1H2
InChIKey	QDPIMXWMDQVBKT-UHFFFAOYSA-N
Smiles	C1=CC(=CC(=C1)Cl)C(=O)C=O.O
Isomeric SMILES	C1=CC(=CC(=C1)Cl)C(=O)C=O.O
Molecular Weight	186.59
Reaxy-Rn	14926763
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14926763&ln=

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	186.590 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	186.008 Da
Monoisotopic Mass	186.008 Da
Topological Polar Surface Area	35.100 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	167.000
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	2

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