1-Bromo-2,4-dimethoxybenzene - ≥98% , CAS No.17715-69-4

CAS: 17715-69-4 Cat. No.: B111192 Summenformel: C₈H₉BrO₂ Molekulargewicht: 217.06 Beilstein Registry Number: 6(2)819 EG-Nummer: 241-717-0

GRADE & PURITY ≥98%

Synonyms

W-206242 | InChI=1/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3 | 9-Amino-2,3,5,6,7,8-hexahydro-1H-cyclopenta(b)quinoline | J-800219 | DTXSID50170262 | EN300-65431 | NIUZVSQOXJIHBL-UHFFFAOYSA- | 1-Bromo-2,4-dimethoxybenzene, 97% | 1-(1-Isocyanato-1-met

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyme

W-206242 | InChI=1/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3 | 9-Amino-2,3,5,6,7,8-hexahydro-1H-cyclopenta(b)quinoline | J-800219 | DTXSID50170262 | EN300-65431 | NIUZVSQOXJIHBL-UHFFFAOYSA- | 1-Bromo-2,4-dimethoxybenzene, 97% | 1-(1-Isocyanato-1-met

Spezifikationen & Reinheit

≥98%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

488186410

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186410

Kanonisches Lächeln

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

IUPAC Name

1-bromo-2,4-dimethoxybenzene

InChIKey

NIUZVSQOXJIHBL-UHFFFAOYSA-N

INCHI

1S/C8H9BrO2/c1-10-6-3-4-7(9)8(5-6)11-2/h3-5H,1-2H3

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

217.06

Beilstein

6(2)819

Reaxy-Rn

1867593

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1867593&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenoxy compounds Anisoles Bromobenzenes Alkyl aryl ethers Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Ether - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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: Insoluble in water
• Empfindlichkeit: Air sensitive
• Gefrierpunkt (°C): 25 °C
• Brechungsindex: 1.5718-1.5738
• Flammpunkt (°F): 235.4 °F
• Flammpunkt (°C): 109℃
• Siedepunkt (°C): 153-155°C
• Schmelzpunkt (°C): 25-26°C
• Molekulargewicht: 217.060 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.979 Da
• Monoisotopic Mass: 215.979 Da
• Topological Polar Surface Area: 18.500 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 119.000
• 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