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

CAS: 2039-88-5 Cat. No.: B140775 Formula: C₈H₇Br Molecular Weight: 183.05 Beilstein Registry Number: 2323537 EC Number: 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

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

Specifications & Purity

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

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥95%

Names and Identifiers

Pubchem Sid

528757240

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

C=CC1=CC=CC=C1Br

WGK Germany

3

Molecular Weight

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
    • Class Benzene and substituted derivatives
      • Subclass Styrenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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
• Description: 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Methanol
• Sensitivity: Heat Sensitive
• Refractive Index: 1.592
• Flash Point(°F): 85°C
• Flash Point(°C): 85°C
• Boil Point(°C): 102-104°C
• Melt Point(°C): -53°C
• Molecular Weight: 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