5'-Bromo-m-terphenyl - ≥98% , CAS No.103068-20-8

CAS: 103068-20-8 Cat. No.: B153116 Formula: C₁₈H₁₃Br Peso molecolare: 309.21 Numero EC: 822-230-8

GRADE & PURITY ≥98%

Synonyms

5 inverted exclamation mark -Bromo-1,1 inverted exclamation mark :3 inverted exclamation mark ,1 inverted exclamation mark inverted exclamation mark -terphenyl | SY032867 | SCHEMBL45718 | C18H13Br | AMY18569 | 5'-bromo-[1,1':3',1'']terphenyl | IOPQERQQZZ

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

5 inverted exclamation mark -Bromo-1,1 inverted exclamation mark :3 inverted exclamation mark ,1 inverted exclamation mark inverted exclamation mark -terphenyl | SY032867 | SCHEMBL45718 | C18H13Br | AMY18569 | 5'-bromo-[1,1':3',1'']terphenyl | IOPQERQQZZ

Specifiche e purezza

≥98%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504765229

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504765229

Sorrisi canonici

C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)C3=CC=CC=C3

IUPAC Name

1-bromo-3,5-diphenylbenzene

InChIKey

IOPQERQQZZREDR-UHFFFAOYSA-N

INCHI

1S/C18H13Br/c19-18-12-16(14-7-3-1-4-8-14)11-17(13-18)15-9-5-2-6-10-15/h1-13H

Isomeri SMILES

C1=CC=C(C=C1)C2=CC(=CC(=C2)Br)C3=CC=CC=C3

Peso molecolare

309.21

Reaxy-Rn

4423206

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4423206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Terphenyls

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Terphenyls
• Intermediate Tree Nodes: Not available
• Direct Parent: M-terphenyls
• Alternative Parents: Brominated biphenyls Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Meta-terphenyl - Brominated biphenyl - Biphenyl - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as m-terphenyls. These are terphenyls with a structure containing the 1,3-diphenylbenzene skeleton.
• 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

Proprietà chimiche e fisiche

• Punto di fusione (°C): 111 °C
• Peso molecolare: 309.200 g/mol
• XLogP3: 5.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 308.02 Da
• Monoisotopic Mass: 308.02 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 237.000
• 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