Bromotriphenylethylene - ≥98%(GC) , CAS No.1607-57-4

CAS: 1607-57-4 Cat. No.: B132265 분자식: C₂₀H₁₅Br 분자량: 335.24 Beilstein Registry Number: 5722 EC 번호: 216-531-8

등급 & 순도 ≥98%(GC)

Synonyms

(2-Bromo-1,2-diphenylvinyl)benzene | 1,2-Triphenylvinyl bromide | SCHEMBL1049697 | 1,2,2-Triphenylvinyl bromide; 1-Bromo-1,2,2-triphenylethene; 1-Bromo-1,2,2-triphenylethylene; 1-Bromotriphenylethylene | Stilbene, .alpha.'-bromo-.alpha.-phenyl- | (2-Bromo

Storage

Room temperature

Shipped In

Normal

사양

동의어

(2-Bromo-1,2-diphenylvinyl)benzene | 1,2-Triphenylvinyl bromide | SCHEMBL1049697 | 1,2,2-Triphenylvinyl bromide; 1-Bromo-1,2,2-triphenylethene; 1-Bromo-1,2,2-triphenylethylene; 1-Bromotriphenylethylene | Stilbene, .alpha.'-bromo-.alpha.-phenyl- | (2-Bromo

사양 및 순도

≥98%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥98%(GC)

이름과 식별자

Pubchem Sid

488182109

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488182109

정식 스마일

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

IUPAC Name

(1-bromo-2,2-diphenylethenyl)benzene

InChIKey

VUQVJIUBUPPCDB-UHFFFAOYSA-N

INCHI

1S/C20H15Br/c21-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H

이성체 SMILES

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

RTECS

KU8850000

분자량

335.24

Beilstein

5722

Reaxy-Rn

2052962

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2052962&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • 분류 Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• 분류: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Diphenylmethanes Vinyl bromides Bromoalkenes Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Diphenylmethane - Benzenoid - Monocyclic benzene moiety - Bromoalkene - Haloalkene - Vinyl halide - Vinyl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• 용해성: Solubility in Toluene almost transparency
• 녹는점(°C): 114-118°C
• 분자량: 335.200 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 3
• Exact Mass: 334.036 Da
• Monoisotopic Mass: 334.036 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 319.000
• 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