4-(4-Bromophenoxy)aniline - ≥97% , CAS No.31465-35-7

CAS: 31465-35-7 Cat. No.: B469075 Summenformel: C₁₂H₁₀BrNO Molekulargewicht: 264.12 EG-Nummer: 625-822-2

GRADE & PURITY ≥97%

Synonyms

SR-01000389235-1 | BRD-K91791732-001-07-9 | AKOS000215002 | FT-0727214 | Z56939196 | SCHEMBL1372200 | EU-0066787 | CCG-103145 | MLS000335370 | SMR000250209 | STK247696 | ZQMNUMBREHBKEB-UHFFFAOYSA-N | EN300-06982 | SR-01000389235 | MFCD00459611 | 4-(4-Brom

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

SR-01000389235-1 | BRD-K91791732-001-07-9 | AKOS000215002 | FT-0727214 | Z56939196 | SCHEMBL1372200 | EU-0066787 | CCG-103145 | MLS000335370 | SMR000250209 | STK247696 | ZQMNUMBREHBKEB-UHFFFAOYSA-N | EN300-06982 | SR-01000389235 | MFCD00459611 | 4-(4-Brom

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

• Kanonisches Lächeln: C1=CC(=CC=C1N)OC2=CC=C(C=C2)Br
• IUPAC Name: 4-(4-bromophenoxy)aniline
• InChIKey: ZQMNUMBREHBKEB-UHFFFAOYSA-N
• INCHI: 1S/C12H10BrNO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,14H2
• Isomere SMILES: C1=CC(=CC=C1N)OC2=CC=C(C=C2)Br
• WGK Deutschland: 3
• Molekulargewicht: 264.12
• Reaxy-Rn: 782541
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=782541&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Bromodiphenyl ethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Aniline and substituted anilines Bromobenzenes Aryl bromides Primary amines Organopnictogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Bromodiphenyl ether - Diaryl ether - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as bromodiphenyl ethers. These are compounds that contain two benzene groups linked to each other via an ether bond, and where at least one ring is substituted with a bromo group.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 264.120 g/mol
• XLogP3: 2.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 262.995 Da
• Monoisotopic Mass: 262.995 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 184.000
• 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