4-(4-Chlorophenoxy)iodobenzene - ≥95% , CAS No.854257-01-5

CAS: 854257-01-5 Cat. No.: C187134 분자식: C₁₂H₈ClIO 분자량: 330.5 EC 번호: 691-827-1

GRADE & PURITY ≥95%

Synonyms

DTXSID50598280 | AB91790 | 4-Chloro-4'-iododiphenyl ether | 1-(4-chlorophenoxy)-4-iodobenzene | 4-(4-clorophenoxy)-iodobenzene | 4-Chloro-4'-iododiphenyl ether 99% | TVALFKNJYMGMJE-UHFFFAOYSA-N | 1-chloro-4-(4-iodophenoxyl)benzene | 1-(4-iodophenoxy)-4-ch

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

DTXSID50598280 | AB91790 | 4-Chloro-4'-iododiphenyl ether | 1-(4-chlorophenoxy)-4-iodobenzene | 4-(4-clorophenoxy)-iodobenzene | 4-Chloro-4'-iododiphenyl ether 99% | TVALFKNJYMGMJE-UHFFFAOYSA-N | 1-chloro-4-(4-iodophenoxyl)benzene | 1-(4-iodophenoxy)-4-ch

사양 및 순도

≥95%

보관 조건

Room temperature

배송

Normal

순수함

≥95%

이름과 식별자

정식 스마일

C1=CC(=CC=C1OC2=CC=C(C=C2)I)Cl

IUPAC Name

1-chloro-4-(4-iodophenoxy)benzene

InChIKey

TVALFKNJYMGMJE-UHFFFAOYSA-N

INCHI

1S/C12H8ClIO/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H

이성체 SMILES

C1=CC(=CC=C1OC2=CC=C(C=C2)I)Cl

분자량

330.5

Reaxy-Rn

3272406

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3272406&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Diarylethers Phenoxy compounds Phenol ethers Iodobenzenes Chlorobenzenes Aryl iodides Aryl chlorides Organoiodides Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Diphenylether - Diaryl ether - Phenoxy compound - Phenol ether - Chlorobenzene - Halobenzene - Iodobenzene - Aryl halide - Aryl chloride - Aryl iodide - Ether - Organochloride - Organohalogen compound - Organic oxygen compound - Organoiodide - Organooxygen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

화학 및 물리적 특성

• 분자량: 330.550 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 329.931 Da
• Monoisotopic Mass: 329.931 Da
• Topological Polar Surface Area: 9.200 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