2-Chloro-4-hydroxy-5-methoxy-benzaldehyde - ≥97% , CAS No.18268-76-3

CAS: 18268-76-3 Cat. No.: C331691 Summenformel: C₈H₇ClO₃ Molekulargewicht: 186.59 EG-Nummer: 846-462-4

GRADE & PURITY ≥97%

Synonyms

DTXSID7075139 | 18268-76-3 | 2-CHLORO-4-HYDROXY-5-METHOXYBENZALDEHYDE | SCHEMBL1054210 | UNII-2JYJ2LFP3W | Vanillin, 6-chloro- | NSC 95796 | NSC95796 | NSC-95796 | 2JYJ2LFP3W | Benzaldehyde, 2-chloro-4-hydroxy-5-methoxy- | 2-Chloro-4-hydroxy-5-methoxy-ben

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Specifications

Synonyme

DTXSID7075139 | 18268-76-3 | 2-CHLORO-4-HYDROXY-5-METHOXYBENZALDEHYDE | SCHEMBL1054210 | UNII-2JYJ2LFP3W | Vanillin, 6-chloro- | NSC 95796 | NSC95796 | NSC-95796 | 2JYJ2LFP3W | Benzaldehyde, 2-chloro-4-hydroxy-5-methoxy- | 2-Chloro-4-hydroxy-5-methoxy-ben

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C,Argon charged

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528756844

Kanonisches Lächeln

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

IUPAC Name

2-chloro-4-hydroxy-5-methoxybenzaldehyde

InChIKey

ZOKLABLCKDZYOP-UHFFFAOYSA-N

INCHI

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

Isomere SMILES

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

Molekulargewicht

186.59

Reaxy-Rn

3243017

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3243017&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenols
• Subclass: Methoxyphenols
• Intermediate Tree Nodes: Not available
• Direct Parent: Methoxyphenols
• Alternative Parents: Hydroxybenzaldehydes Phenoxy compounds Methoxybenzenes M-chlorophenols Benzoyl derivatives Anisoles Chlorobenzenes Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl chlorides Vinylogous halides Organochlorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Methoxyphenol - Hydroxybenzaldehyde - Anisole - Benzaldehyde - Benzoyl - 3-halophenol - 3-chlorophenol - Phenoxy compound - Phenol ether - Methoxybenzene - Aryl-aldehyde - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Vinylogous halide - Ether - Organic oxide - Organohalogen compound - Organochloride - Organooxygen compound - Aldehyde - Organic oxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: air sensitive
• Brechungsindex: n20D1.60 (Predicted)
• Siedepunkt (°C): 307.19° C at 760 mmHg (Predicted)
• Schmelzpunkt (°C): 86.81° C (Predicted)
• Molekulargewicht: 186.590 g/mol
• XLogP3: 2.100
• 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