2-Chloro-4-methoxybenzaldehyde - ≥97% , CAS No.54439-75-7

CAS: 54439-75-7 Cat. No.: C589430 Formula: C₈H₇ClO₂ Peso molecolare: 170.59 Numero EC: 809-403-3

GRADE & PURITY ≥97%

Synonyms

FT-0742990 | J-519666 | AM20061102 | YWGKOEQZKMSICW-UHFFFAOYSA-N | SY030189 | DTXSID20429431 | Z178955320 | Benzaldehyde, 2-chloro-4-methoxy- | MFCD01741722 | A830180 | SB37607 | 2-chloro-4-methoxybenzaldehyde | 2-chloro-4-methoxy-benzaldehyde | 2-chloro-

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

FT-0742990 | J-519666 | AM20061102 | YWGKOEQZKMSICW-UHFFFAOYSA-N | SY030189 | DTXSID20429431 | Z178955320 | Benzaldehyde, 2-chloro-4-methoxy- | MFCD01741722 | A830180 | SB37607 | 2-chloro-4-methoxybenzaldehyde | 2-chloro-4-methoxy-benzaldehyde | 2-chloro-

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥97%

Nomi e identificatori

Pubchem Sid

508808211

Sorrisi canonici

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

IUPAC Name

2-chloro-4-methoxybenzaldehyde

InChIKey

YWGKOEQZKMSICW-UHFFFAOYSA-N

INCHI

1S/C8H7ClO2/c1-11-7-3-2-6(5-10)8(9)4-7/h2-5H,1H3

Isomeri SMILES

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

Peso molecolare

170.59

Reaxy-Rn

1937026

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1937026&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Chlorobenzenes Alkyl aryl ethers Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - 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 benzoyl derivatives. These are organic compounds containing an acyl moiety of benzoic acid with the formula (C6H5CO-).
• 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

• Peso molecolare: 170.590 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 170.013 Da
• Monoisotopic Mass: 170.013 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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