4-Methyl-1-naphthaldehyde - ≥95% , CAS No.33738-48-6

CAS: 33738-48-6 Cat. No.: M300775 Formula: C₁₂H₁₀O Peso molecolare: 170.21 Numero EC: 674-090-0

GRADE & PURITY ≥95%

Synonyms

DTXSID10187412 | 1-Methyl-4-naphthaldehyd | 1-Methylnaphthalene-4-carboxaldehyde | 4-Methyl-1-naphthaldehyde, 97% | SCHEMBL2184850 | 4-Methyl-1-naphthaldehyde | FS-4671 | Z57887836 | 4-methyl-2-morpholino-thiazole-5-carbaldehyde | 4-methyl-naphthalene-1-c

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinonimi

DTXSID10187412 | 1-Methyl-4-naphthaldehyd | 1-Methylnaphthalene-4-carboxaldehyde | 4-Methyl-1-naphthaldehyde, 97% | SCHEMBL2184850 | 4-Methyl-1-naphthaldehyde | FS-4671 | Z57887836 | 4-methyl-2-morpholino-thiazole-5-carbaldehyde | 4-methyl-naphthalene-1-c

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

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Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504757237

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757237

Sorrisi canonici

CC1=CC=C(C2=CC=CC=C12)C=O

IUPAC Name

4-methylnaphthalene-1-carbaldehyde

InChIKey

LANRGTXVAPBSIA-UHFFFAOYSA-N

INCHI

1S/C12H10O/c1-9-6-7-10(8-13)12-5-3-2-4-11(9)12/h2-8H,1H3

Isomeri SMILES

CC1=CC=C(C2=CC=CC=C12)C=O

Peso molecolare

170.21

Reaxy-Rn

2043188

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2043188&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl-aldehydes Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl-aldehyde - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aldehyde - Aromatic homopolycyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as naphthalenes. These are compounds containing a naphthalene moiety, which consists of two fused benzene rings.
• 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 fusione (°C): 31-33°
• Peso molecolare: 170.210 g/mol
• XLogP3: 3.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 170.073 Da
• Monoisotopic Mass: 170.073 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 188.000
• 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