2-Chloro-3,4-dimethoxybenzaldehyde - ≥98%(GC) , CAS No.5417-17-4

CAS: 5417-17-4 Cat. No.: C124146 Formula: C₉H₉ClO₃ Peso molecolare: 200.62 Beilstein Registry Number: 2109344 Numero EC: 226-515-2

GRADE & PURITY ≥98%(GC)

Synonyms

MFCD00084942 | SY048280 | NSC7375 | NSC-7375 | Acetic acid, 2-(4-chloro-3,5-dimethylphenoxy)- | SCHEMBL736351 | AKOS005171630 | 2-Chloroveratraldehyde | C1997 | STK503612 | 2-(5-(Benzyloxy)-1H-indol-3-yl)ethanamine | SAWHDJTZESXNMM-UHFFFAOYSA-N | AC-7640

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

MFCD00084942 | SY048280 | NSC7375 | NSC-7375 | Acetic acid, 2-(4-chloro-3,5-dimethylphenoxy)- | SCHEMBL736351 | AKOS005171630 | 2-Chloroveratraldehyde | C1997 | STK503612 | 2-(5-(Benzyloxy)-1H-indol-3-yl)ethanamine | SAWHDJTZESXNMM-UHFFFAOYSA-N | AC-7640

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

504755373

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755373

Sorrisi canonici

COC1=C(C(=C(C=C1)C=O)Cl)OC

IUPAC Name

2-chloro-3,4-dimethoxybenzaldehyde

InChIKey

SAWHDJTZESXNMM-UHFFFAOYSA-N

INCHI

1S/C9H9ClO3/c1-12-7-4-3-6(5-11)8(10)9(7)13-2/h3-5H,1-2H3

Isomeri SMILES

COC1=C(C(=C(C=C1)C=O)Cl)OC

WGK Germania

3

Peso molecolare

200.62

Beilstein

2109344

Reaxy-Rn

1960849

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1960849&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Benzoyl derivatives Benzaldehydes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Benzaldehyde - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Vinylogous halide - Ether - Organohalogen compound - Organochloride - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• External Descriptors: Not available

Data sources

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

Proprietà chimiche e fisiche

• Solubilità: Soluble in Toluene
• Sensibilità: Air ＆ light sensitive
• Punto di fusione (°C): 69.0-73.0°C
• Peso molecolare: 200.620 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.024 Da
• Monoisotopic Mass: 200.024 Da
• Topological Polar Surface Area: 35.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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

Domande frequenti

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5417-17-4, the molecular formula is C9H9ClO3, and the molecular weight is 200.62 g/mol. InChIKey SAWHDJTZESXNMM-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.