2-Bromostyrene - ≥95%, contains 0.1% 4-tert-butylcatechol as stabilizator , CAS No.2039-88-5

CAS: 2039-88-5 Cat. No.: B140775 分子式: C₈H₇Br 分子量: 183.05 Beilstein Registry Number: 2323537 EC番号: 218-027-3

GRADE & PURITY ≥95%, contains 0.1% 4-tert-butylcatechol as stabilizator

Synonyms

Bromstyrol | F12180 | InChI=1/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H | o -Bromovinylbenzene | 2-Bromostyrene | B2355 | NCGC00164055-01 | Q27272268 | 2-Bromostyrene (Stabilised with TBC) | A814531 | EC 603-094-7 | EINECS 218-027-3 | MFCD00000076 | o-Bromovin

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

同義語

Bromstyrol | F12180 | InChI=1/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H | o -Bromovinylbenzene | 2-Bromostyrene | B2355 | NCGC00164055-01 | Q27272268 | 2-Bromostyrene (Stabilised with TBC) | A814531 | EC 603-094-7 | EINECS 218-027-3 | MFCD00000076 | o-Bromovin

仕様と純度

≥95%, contains 0.1% 4-tert-butylcatechol as stabilizator

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

純度

≥95%

名前と識別子

パブケム・シド

528757240

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/528757240

カノニカル・スマイル

C=CC1=CC=CC=C1Br

IUPAC Name

1-bromo-2-ethenylbenzene

InChIKey

SSZOCHFYWWVSAI-UHFFFAOYSA-N

INCHI

1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2

異性体SMILES

C=CC1=CC=CC=C1Br

WGKドイツ

3

分子量

183.05

Beilstein

2323537

Reaxy-Rn

2323537

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2323537&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 分類 Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: Benzene and substituted derivatives
• Subclass: Styrenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Styrenes
• Alternative Parents: Bromobenzenes Aryl bromides Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Styrene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
• 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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Soluble in Methanol
• 感度: Heat Sensitive
• 屈折率: 1.592
• 引火点（°F）: 85°C
• 引火点（°C）: 85°C
• 沸点（°C）: 102-104°C
• 融点（°C）: -53°C
• 分子量: 183.040 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 1
• Exact Mass: 181.973 Da
• Monoisotopic Mass: 181.973 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 98.700
• 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