Ethylbenzene - Anhydrous Grade, ≥99.8% , CAS No.100-41-4

CAS: 100-41-4 Cat. No.: E108145 분자식: C₈H₁₀ 분자량: 106.17 Beilstein Registry Number: 1901871 EC 번호: 202-849-4

GRADE & PURITY Anhydrous Grade, ≥99.8%

Synonyms

AI3-09057 | C07111 | E0064 | EB | ETHYL-BETA,BETA,BETA-D3-BENZENE | FT-0626285 | WLN: 2R | DTXCID10596 | ETHYLBENZENE [IARC] | STL282714 | ETHYLBENZENE (IARC) | ETHYLBENZENE (USP-RS) | Z104473632 | ETHYLBENZENE [USP-RS] | alpha-Methyltoluene | ETHYLBENZEN

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

동의어

AI3-09057 | C07111 | E0064 | EB | ETHYL-BETA,BETA,BETA-D3-BENZENE | FT-0626285 | WLN: 2R | DTXCID10596 | ETHYLBENZENE [IARC] | STL282714 | ETHYLBENZENE (IARC) | ETHYLBENZENE (USP-RS) | Z104473632 | ETHYLBENZENE [USP-RS] | alpha-Methyltoluene | ETHYLBENZEN

사양 및 순도

Anhydrous Grade, ≥99.8%

보관 조건

Room temperature

배송

FedEx DG Service

등급

Anhydrous Grade

순수함

≥99.8%

이름과 식별자

Pubchem Sid

508811808

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811808

정식 스마일

CCC1=CC=CC=C1

IUPAC Name

ethylbenzene

InChIKey

YNQLUTRBYVCPMQ-UHFFFAOYSA-N

INCHI

1S/C8H10/c1-2-8-6-4-3-5-7-8/h3-7H,2H2,1H3

이성체 SMILES

CCC1=CC=CC=C1

WGK 독일

1

RTECS

DA0700000

UN 번호

1175

포장 그룹

II

분자량

106.17

Beilstein

1901871

Reaxy-Rn

1901871

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1901871&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Aromatic hydrocarbons Unsaturated hydrocarbons
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzene and substituted derivatives. These are aromatic compounds containing one monocyclic ring system consisting of benzene.
• External Descriptors: an aromatic compound

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

관련 대상(인간)

TP53 Tchem Cellular tumor antigen p53 (48468 Activities)

Discover Target: TP53

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

E Lysozyme (95 Activities)

Discover Target: E

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 용해성: Not soluble in water, but miscible with most organic solvents such as ethanol and ether.
• 감도: Hygroscopic
• 굴절률: 1.495
• 발화점(°C): 22 °C
• 끓는점(°C): 136°C
• 녹는점(°C): -95°C
• 분자량: 106.160 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 106.078 Da
• Monoisotopic Mass: 106.078 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 51.100
• 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