5-Chloro-2-hydroxy-3-methoxybenzaldehyde - ≥97% , CAS No.7740-05-8

CAS: 7740-05-8 Cat. No.: C469672 Formula: CH₃OC₆H₂Cl(OH)CHO Peso molecolare: 186.59 Numero EC: 624-679-3

GRADE & PURITY ≥97%

Synonyms

MFCD01103568 | A914456 | DTXSID80408848 | EN300-135785 | SCHEMBL455724 | 5-Chloro-2-hydroxy-3-methoxybenzaldehyde, 97% | Benzaldehyde, 5-chloro-2-hydroxy-3-methoxy- | STK067977 | PQKYPMGTDHNSRL-UHFFFAOYSA-N | AKOS000112606 | FT-0696661 | BDBM110984 | 5-Ch

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

MFCD01103568 | A914456 | DTXSID80408848 | EN300-135785 | SCHEMBL455724 | 5-Chloro-2-hydroxy-3-methoxybenzaldehyde, 97% | Benzaldehyde, 5-chloro-2-hydroxy-3-methoxy- | STK067977 | PQKYPMGTDHNSRL-UHFFFAOYSA-N | AKOS000112606 | FT-0696661 | BDBM110984 | 5-Ch

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

504763240

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504763240

Sorrisi canonici

COC1=CC(=CC(=C1O)C=O)Cl

IUPAC Name

5-chloro-2-hydroxy-3-methoxybenzaldehyde

InChIKey

PQKYPMGTDHNSRL-UHFFFAOYSA-N

INCHI

1S/C8H7ClO3/c1-12-7-3-6(9)2-5(4-10)8(7)11/h2-4,11H,1H3

Isomeri SMILES

COC1=CC(=CC(=C1O)C=O)Cl

Peso molecolare

186.59

Reaxy-Rn

2443612

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2443612&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Phenols
      • Subclass Methoxyphenols

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds P-chlorophenols Methoxybenzenes Benzoyl derivatives Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous acids Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - 4-halophenol - Phenoxy compound - 4-chlorophenol - Phenol ether - Methoxybenzene - Aryl-aldehyde - Alkyl aryl ether - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - Aryl chloride - Aryl halide - Vinylogous acid - Ether - Organic oxide - Aldehyde - Organohalogen compound - Organochloride - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as methoxyphenols. These are compounds containing a methoxy group attached to the benzene ring of a phenol moiety.
• 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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Punto di infiammabilità (°F): Not applicable
• Punto di infiammabilità (°C): Not applicable
• Peso molecolare: 186.590 g/mol
• XLogP3: 2.000
• 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: 46.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 162.000
• 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?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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 7740-05-8, the molecular formula is C8H7ClO3, and the molecular weight is 186.59 g/mol. InChIKey PQKYPMGTDHNSRL-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.