4-Bromostyrene - ≥95%, stabilized with 100-500 ppm 4-tert-butylcatechol , CAS No.2039-82-9

CAS: 2039-82-9 Cat. No.: B102167 분자식: C₈H₇Br 분자량: 183.05 Beilstein Registry Number: 1634204 EC 번호: 218-022-6

GRADE & PURITY ≥95%, stabilized with 100-500 ppm 4-tert-butylcatechol

Synonyms

4-Bromostyrene (0.2% t-Butylcatachol added as inhibitor) | p-BROMO STYRENE | W-107626 | p-Bromostyrene | p-bromo-styrene | 4-Bromostyrene - stabilized with 0.1% 4-tert-butylcatechol | NSC 60393 | 1-Bromo-4-vinylbenzene # | 4-BROMOSTYRENE | 4-Bromo-styrene

Storage

Protected from light,Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

개요

4-Bromostyrene is a para-halogenated styrene derivative. The proton spectra of 4-bromostyrene exhibits dipolar couplings consistent with planar ground state structures, only if the torsional motion of lowest frequency occurs at about 80cm-1. It undergoes Heck reaction with 2-bromo-6-methoxynaphthalene in the presence of sodium acetate and Hermann′s catalyst in N,N-dimethylacetamide to afford diarylethene.

Specifications

동의어

4-Bromostyrene (0.2% t-Butylcatachol added as inhibitor) | p-BROMO STYRENE | W-107626 | p-Bromostyrene | p-bromo-styrene | 4-Bromostyrene - stabilized with 0.1% 4-tert-butylcatechol | NSC 60393 | 1-Bromo-4-vinylbenzene # | 4-BROMOSTYRENE | 4-Bromo-styrene

사양 및 순도

≥95%, stabilized with 100-500 ppm 4-tert-butylcatechol

보관 조건

Protected from light,Store at -20°C,Desiccated

배송

Ice chest + Ice pads

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순수함

≥95%

이름과 식별자

Pubchem Sid

528760680

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/528760680

정식 스마일

C=CC1=CC=C(C=C1)Br

IUPAC Name

1-bromo-4-ethenylbenzene

InChIKey

WGGLDBIZIQMEGH-UHFFFAOYSA-N

INCHI

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

이성체 SMILES

C=CC1=CC=C(C=C1)Br

WGK 독일

3

분자량

183.05

Beilstein

1634204

Reaxy-Rn

1634204

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1634204&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: 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
• 설명: 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

화학 및 물리적 특성

• 용해성: Miscible with ethanol, ether and benzene.
• 감도: light sensitive；heat sensitive
• 굴절률: 1.594
• 발화점(°F): 167.0 °F
• 발화점(°C): 75°C
• 끓는점(°C): 89°C
• 분자량: 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: 90.700
• 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