2,3,4-(Trimethoxy)bromobenzene - ≥97% , CAS No.10385-36-1

CAS: 10385-36-1 Cat. No.: T331345 Summenformel: C₉H₁₁BrO₃ Molekulargewicht: 247.09 PubChem CID: 256930

GRADE & PURITY ≥97%

Synonyms

1-bromo-2,3,4-trimethoxy-benzene;5-Bromo-1,2,3-trimethoxybenzene | 1-Bromo-2,3,4-trimethoxybenzene;Benzene,1-bromo-2,3,4-trimethoxy- | 2 3 4-(TRIMETHOXY)BROMOBENZENE | A818588 | EN300-1910986 | trimethoxy bromobenzene | NCIOpen2_004640 | SCHEMBL772484 | 2

Storage

Store at 2-8°C

Shipped In

Wet ice

Übersicht

application

2,3,4-(Trimethoxy)bromobenzene can be prepared from 1,2,3-(trimethoxy)benzene via bromination.

Specifications

Synonyme

1-bromo-2,3,4-trimethoxy-benzene;5-Bromo-1,2,3-trimethoxybenzene | 1-Bromo-2,3,4-trimethoxybenzene;Benzene,1-bromo-2,3,4-trimethoxy- | 2 3 4-(TRIMETHOXY)BROMOBENZENE | A818588 | EN300-1910986 | trimethoxy bromobenzene | NCIOpen2_004640 | SCHEMBL772484 | 2

Spezifikationen & Reinheit

≥97%

Storage

Store at 2-8°C

Verschickt in

Wet ice

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

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

504758163

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758163

Kanonisches Lächeln

COC1=C(C(=C(C=C1)Br)OC)OC

IUPAC Name

1-bromo-2,3,4-trimethoxybenzene

InChIKey

HKCQJLVIFMFOTG-UHFFFAOYSA-N

INCHI

1S/C9H11BrO3/c1-11-7-5-4-6(10)8(12-2)9(7)13-3/h4-5H,1-3H3

Isomere SMILES

COC1=C(C(=C(C=C1)Br)OC)OC

PubChem CID

256930

Molekulargewicht

247.09

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Klasse Phenol ethers
      • Subclass Anisoles

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Phenol ethers
• Subclass: Anisoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Anisoles
• Alternative Parents: Phenoxy compounds Methoxybenzenes Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenoxy compound - Anisole - Methoxybenzene - Alkyl aryl ether - Bromobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Ether - Organohalogen compound - Organic oxygen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as anisoles. These are organic compounds containing a methoxybenzene or a derivative thereof.
• 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

• Siedepunkt (°C): 105-110 °C/2 mmHg
• Molekulargewicht: 247.090 g/mol
• XLogP3: 2.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 245.989 Da
• Monoisotopic Mass: 245.989 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 154.000
• 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