4-Chlorophenylglyoxal hydrate - ≥97% , CAS No.4996-21-8

CAS: 4996-21-8 Cat. No.: C193588 Peso molecular: 186.59 PubChem CID: 15556731
Disponible para pedir
GRADE & PURITY ≥97%
Synonyms
FT-0647143 | MFCD08272327 | 2-(4-chlorophenyl)-2-oxoacetaldehyde;hydrate | SCHEMBL10353718 | 2-(4-chlorophenyl)-2-oxoacetaldehyde hydrate | 2-(4-chlorophenyl)-2-oxoacetaldehydehydrate | AMY31336 | 4-chlorophenylglyoxal hydrate | SY122335 | A898761 | FT-06
Storage
Store at -20°C,Argon charged
Shipped In
Ice chest + Ice pads
 ·  off list, applied to all prices below.
Size
Estado
Price
Qty
250mg
C193588-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
14,90US$
1g
C193588-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
38,90US$
5g
C193588-5g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
125,90US$
Enter a quantity for the sizes you want to add.
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Why this grade

≥97% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at -20°C,Argon charged Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Sinónimos
FT-0647143 | MFCD08272327 | 2-(4-chlorophenyl)-2-oxoacetaldehyde;hydrate | SCHEMBL10353718 | 2-(4-chlorophenyl)-2-oxoacetaldehyde hydrate | 2-(4-chlorophenyl)-2-oxoacetaldehydehydrate | AMY31336 | 4-chlorophenylglyoxal hydrate | SY122335 | A898761 | FT-06
Especificaciones y pureza
≥97%
Condiciones de almacenamiento de almacenamiento
Store at -20°C, Argon charged
Enviado en
Ice chest + Ice pads
Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.
Pureza
≥97%
Nombres e identificadores
Sonrisas canónicasC1=CC(=CC=C1C(=O)C=O)Cl.O
IUPAC Name2-(4-chlorophenyl)-2-oxoacetaldehyde;hydrate
InChIKeyJTOCXCVDVKZPEB-UHFFFAOYSA-N
INCHI1S/C8H5ClO2.H2O/c9-7-3-1-6(2-4-7)8(11)5-10;/h1-5H;1H2
Isómeros SMILES C1=CC(=CC=C1C(=O)C=O)Cl.O
CAS alternativo 859932-64-2
PubChem CID 15556731
Peso molecular 186.59

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClaseBenzene and substituted derivatives
SubclassPhenylacetaldehydes
Intermediate Tree Nodes Not available
Direct ParentPhenylacetaldehydes
Alternative Parents Benzoyl derivatives  Aryl ketones  Chlorobenzenes  Aryl chlorides  Alpha ketoaldehydes  Organochlorides  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic 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
DescripciónThis 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
Estructura 3D
Modelo de Estructura Química Interactiva





Certificados (CoA, COO, BSE/TSE y tabla de análisis)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Propiedades químicas y físicas
Peso molecular186.590 g/mol
XLogP3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass186.008 Da
Monoisotopic Mass186.008 Da
Topological Polar Surface Area35.100 Ų
Heavy Atom Count12
Formal Charge0
Complexity159.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count2
Calculadoras de soluciones
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