(2-Bromoethyl)benzene - ≥98% , CAS No.103-63-9

CAS: 103-63-9 Cat. No.: B106895 Summenformel: C₈H₉Br Molekulargewicht: 185.06 Beilstein Registry Number: 507487 EG-Nummer: 203-130-8

GRADE & PURITY ≥98%

Synonyms

.beta.-Bromoethylbenzene | BP-30043 | ar-Monobromoethylbenzene | beta-phenylethylbromide | 2-phenylbromoethane | beta-Bromoethylbenzene | FENTANYL CITRATE IMPURITY I [EP IMPURITY] | 2-Bromoethylbenzene | 2-bromoethyl-benzene | NSC 33926 | 3-Bromoethylbenz

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Shipped In

Nasses Eis

Specifications

Synonyme

.beta.-Bromoethylbenzene | BP-30043 | ar-Monobromoethylbenzene | beta-phenylethylbromide | 2-phenylbromoethane | beta-Bromoethylbenzene | FENTANYL CITRATE IMPURITY I [EP IMPURITY] | 2-Bromoethylbenzene | 2-bromoethyl-benzene | NSC 33926 | 3-Bromoethylbenz

Spezifikationen & Reinheit

≥98%

Storage

Lagerung bei 2-8°C, vor Licht geschützt, mit Argon gefüllt

Verschickt in

Nasses Eis

Reinheit

≥98%

Product Line

B106895-100g

Namen und Kennungen

Pubchem Sid

504751424

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751424

Kanonisches Lächeln

C1=CC=C(C=C1)CCBr

IUPAC Name

2-bromoethylbenzene

InChIKey

WMPPDTMATNBGJN-UHFFFAOYSA-N

INCHI

1S/C8H9Br/c9-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2

Isomere SMILES

C1=CC=C(C=C1)CCBr

WGK Deutschland

3

RTECS

CY9032000

Molekulargewicht

185.06

Beilstein

507487

Reaxy-Rn

507487

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507487&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Klasse: Benzene and substituted derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzene and substituted derivatives
• Alternative Parents: Organobromides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Monocyclic benzene moiety - Hydrocarbon derivative - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Aromatic homomonocyclic compound
• Beschreibung: 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: 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

Zugehörige Ziele (menschlich)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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Lymphoblastoid cell (5959 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

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

CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

Discover Target: CBX1

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

Zugehörige Ziele (nicht menschlich)

Plasmodium falciparum (966862 Activities)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Miscible with ether and benzene. Immiscible with water.
• Empfindlichkeit: heat sensitive & light sensitive & Moisture sensitive
• Brechungsindex: 1.56
• Flammpunkt (°F): 204.8 °F
• Flammpunkt (°C): 96 °C
• Siedepunkt (°C): 220°C
• Molekulargewicht: 185.060 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 2
• Exact Mass: 183.989 Da
• Monoisotopic Mass: 183.989 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 65.000
• 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

Häufig gestellte Fragen

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 2–8 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

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

The CAS Number is 103-63-9, the molecular formula is C8H9Br, and the molecular weight is 185.06 g/mol. InChIKey WMPPDTMATNBGJN-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.