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

CAS: 2039-88-5 Cat. No.: B140775 분자식: C₈H₇Br 분자량: 183.05 Beilstein Registry Number: 2323537 EC 번호: 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

동의어

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

사양 및 순도

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

보관 조건

Store at 2-8°C

배송

Wet ice

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순수함

≥95%

이름과 식별자

Pubchem Sid

528757240

Pubchem Sid Url

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

정식 스마일

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

이성체 SMILES

C=CC1=CC=CC=C1Br

WGK 독일

3

분자량

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
    • 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

작용 메커니즘

화학 및 물리적 특성

• 용해성: Soluble in Methanol
• 감도: Heat Sensitive
• 굴절률: 1.592
• 발화점(°F): 85°C
• 발화점(°C): 85°C
• 끓는점(°C): 102-104°C
• 녹는점(°C): -53°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: 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