1-Bromo-2-naphthaldehyde - ≥96% , CAS No.3378-82-3

CAS: 3378-82-3 Cat. No.: B151872 Summenformel: C₁₁H₇BrO Molekulargewicht: 235.08 Beilstein Registry Number: 2613640 EG-Nummer: 222-180-1

GRADE & PURITY ≥96%

Synonyms

SCHEMBL950436 | 1-bromo-2-naphtaldehyde | DTXSID60187442 | AS-18640 | 1-bromo-2-naphthaldehyde | B1647 | AC-27834 | A854502 | 2-Naphthalenecarboxaldehyde, 1-bromo- | FT-0634812 | SB66995 | 1-bromo-naphthalene-2-carbaldehyde | 1-Bromonaphthalene-2-carbalde

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyme

SCHEMBL950436 | 1-bromo-2-naphtaldehyde | DTXSID60187442 | AS-18640 | 1-bromo-2-naphthaldehyde | B1647 | AC-27834 | A854502 | 2-Naphthalenecarboxaldehyde, 1-bromo- | FT-0634812 | SB66995 | 1-bromo-naphthalene-2-carbaldehyde | 1-Bromonaphthalene-2-carbalde

Spezifikationen & Reinheit

≥96%

Storage

Room temperature,Argon charged

Verschickt in

Normal

Reinheit

≥96%

Namen und Kennungen

• Pubchem Sid: 488185342
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488185342
• Kanonisches Lächeln: C1=CC=C2C(=C1)C=CC(=C2Br)C=O
• IUPAC Name: 1-bromonaphthalene-2-carbaldehyde
• InChIKey: CYGUXEZVBLMVRV-UHFFFAOYSA-N
• INCHI: 1S/C11H7BrO/c12-11-9(7-13)6-5-8-3-1-2-4-10(8)11/h1-7H
• Isomere SMILES: C1=CC=C2C(=C1)C=CC(=C2Br)C=O
• WGK Deutschland: 3
• Molekulargewicht: 235.08
• Beilstein: 2613640
• Reaxy-Rn: 2613639
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2613639&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Naphthalenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Naphthalenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Naphthalenes
• Alternative Parents: Aryl-aldehydes Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Naphthalene - Aryl-aldehyde - Aryl halide - Aryl bromide - Vinylogous halide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organobromide - Organohalogen compound - Aldehyde - Aromatic homopolycyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in Methanol
• Empfindlichkeit: Air Sensitive
• Schmelzpunkt (°C): 118 °C
• Molekulargewicht: 235.080 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 233.968 Da
• Monoisotopic Mass: 233.968 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 193.000
• 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