2-Bromo-6-methoxybenzaldehyde - ≥98% , CAS No.126712-07-0

CAS: 126712-07-0 Cat. No.: B180951 Summenformel: C₈H₇BrO₂ Molekulargewicht: 215.04 EG-Nummer: 975-524-4

GRADE & PURITY ≥98%

Synonyms

2-Bromo-6-methoxybenzaldehyde, AldrichCPR | J-511867 | SY039526 | 2-Bromo-6-methoxybenzaldehyde # | AMY17353 | DTXSID00339246 | Z826537394 | MB05120 | 3-Bromo-2-formylanisole | DS-18590 | RQLOLSOZFHENIV-UHFFFAOYSA-N | A805589 | MFCD08059232 | SCHEMBL47541

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

2-Bromo-6-methoxybenzaldehyde, AldrichCPR | J-511867 | SY039526 | 2-Bromo-6-methoxybenzaldehyde # | AMY17353 | DTXSID00339246 | Z826537394 | MB05120 | 3-Bromo-2-formylanisole | DS-18590 | RQLOLSOZFHENIV-UHFFFAOYSA-N | A805589 | MFCD08059232 | SCHEMBL47541

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

528757202

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528757202

Kanonisches Lächeln

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

IUPAC Name

2-bromo-6-methoxybenzaldehyde

InChIKey

RQLOLSOZFHENIV-UHFFFAOYSA-N

INCHI

1S/C8H7BrO2/c1-11-8-4-2-3-7(9)6(8)5-10/h2-5H,1H3

Isomere SMILES

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

Molekulargewicht

215.04

Reaxy-Rn

3089204

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3089204&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Benzoyl derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoyl derivatives
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzaldehydes Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Benzaldehyde - Benzoyl - Alkyl aryl ether - Aryl-aldehyde - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous halide - Ether - Organohalogen compound - Organobromide - Organooxygen compound - Aldehyde - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 215.040 g/mol
• XLogP3: 2.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 213.963 Da
• Monoisotopic Mass: 213.963 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