3-Ethylbiphenyl - ≥98% , CAS No.5668-93-9

CAS: 5668-93-9 Cat. No.: E156315 분자식: C₁₄H₁₄ 분자량: 182.27 EC 번호: 807-783-5

등급 & 순도 ≥98%

Synonyms

1,1'-Biphenyl, 3-ethyl-|3-Ethylbiphenyl|3-Ethyl-biphenyl|m-ethylbiphenyl|1-Ethyl-3-phenylbenzene|Biphenyl, 3-ethyl-|1, 3-ethyl-|3-Ethyl-1,1'-biphenyl

Storage

Room temperature

Shipped In

Normal

사양

동의어

1,1'-Biphenyl, 3-ethyl- | 3-Ethylbiphenyl | 3-Ethyl-biphenyl | m-ethylbiphenyl | 1-Ethyl-3-phenylbenzene | Biphenyl, 3-ethyl- | 1, 3-ethyl- | 3-Ethyl-1,1'-biphenyl

사양 및 순도

≥98%

보관 조건

Room temperature

배송

Normal

순수함

≥98%

이름과 식별자

Pubchem Sid

488185768

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185768

정식 스마일

CCC1=CC(=CC=C1)C2=CC=CC=C2

IUPAC Name

1-ethyl-3-phenylbenzene

InChIKey

HUXKTWJQSHBZIV-UHFFFAOYSA-N

INCHI

1S/C14H14/c1-2-12-7-6-10-14(11-12)13-8-4-3-5-9-13/h3-11H,2H2,1H3

이성체 SMILES

CCC1=CC(=CC=C1)C2=CC=CC=C2

분자량

182.27

Reaxy-Rn

1858176

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1858176&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Biphenyls and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Biphenyls and derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Biphenyl - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
• 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

• 굴절률: 1.59
• 끓는점(°C): 284°C(lit.)
• 녹는점(°C): -27°C(lit.)
• 분자량: 182.260 g/mol
• XLogP3: 4.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 182.11 Da
• Monoisotopic Mass: 182.11 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 155.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 5668-93-9, the molecular formula is C14H14, and the molecular weight is 182.27 g/mol. InChIKey HUXKTWJQSHBZIV-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.