3-Bromostyrene - ≥96%(GC), contains0.1% TBC as stabilizer , CAS No.2039-86-3

CAS: 2039-86-3 Cat. No.: B121722 Molecular Weight: 183.05 Beilstein Registry Number: 2038490 EC Number: 218-025-2
AVAILABLE TO ORDER
GRADE & PURITY ≥96%(GC) contains0.1% TBC as stabilizer
Synonyms
J7.857C | 1-Bromo-3-vinylbenzene | 1-bromo-3-vinyl-benzene | MFCD01681551 | 3-Bromostyrene, 97%, contains 0.1% 3,5-di-tert-butylcatechol as inhibitor | m-Bromostyrene | 3-BrC6H4CH=CH2 | EINECS 218-025-2 | SCHEMBL50668 | Q27265672 | 1-bromo-3-ethenylbenzen
Storage
Store at 2-8°C
Shipped In
Wet ice
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Size
Status
Price
Qty
1g
B121722-1g
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$16.90
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5g
B121722-5g
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$25.90

$38.90
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25g
B121722-25g
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$88.90

$133.90
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100g
B121722-100g
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$354.90

$532.90
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Why this grade

≥96%(GC), contains0.1% TBC as stabilizer for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 3 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
J7.857C | 1-Bromo-3-vinylbenzene | 1-bromo-3-vinyl-benzene | MFCD01681551 | 3-Bromostyrene, 97%, contains 0.1% 3, 5-di-tert-butylcatechol as inhibitor | m-Bromostyrene | 3-BrC6H4CH=CH2 | EINECS 218-025-2 | SCHEMBL50668 | Q27265672 | 1-bromo-3-ethenylbenzen
Specifications & Purity
≥96%(GC), contains0.1% TBC as stabilizer
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
≥96%(GC)
Names and Identifiers
Pubchem Sid504754878
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504754878
Canonical SmilesC=CC1=CC(=CC=C1)Br
IUPAC Name1-bromo-3-ethenylbenzene
InChIKeyKQJQPCJDKBKSLV-UHFFFAOYSA-N
INCHI1S/C8H7Br/c1-2-7-4-3-5-8(9)6-7/h2-6H,1H2
Isomeric SMILES C=CC1=CC(=CC=C1)Br
WGK Germany 3
Molecular Weight 183.05
Beilstein 2038490
Reaxy-Rn 2038490
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2038490&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassStyrenes
Intermediate Tree Nodes Not available
Direct ParentStyrenes
Alternative Parents Bromobenzenes  Aryl bromides  Organobromides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Styrene - Halobenzene - Bromobenzene - Aryl halide - Aryl bromide - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as styrenes. These are organic compounds containing an ethenylbenzene moiety.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

9 results found

Lot NumberCertificate TypeDateItem
A2620238Certificate of AnalysisJan 29, 2026 B121722
A2620239Certificate of AnalysisJan 29, 2026 B121722
A2620240Certificate of AnalysisJan 29, 2026 B121722
C2205211Certificate of AnalysisSep 04, 2025 B121722
C2205217Certificate of AnalysisSep 04, 2025 B121722
C2205222Certificate of AnalysisSep 04, 2025 B121722
C2205229Certificate of AnalysisSep 04, 2025 B121722
L2404146Certificate of AnalysisDec 22, 2023 B121722
G2109048Certificate of AnalysisApr 13, 2023 B121722
Chemical and Physical Properties
SolubilitySoluble in Methanol
SensitivityLight Sensitive,Heat Sensitive
Refractive Index1.591
Flash Point(°F)67°C
Flash Point(°C)67°C
Boil Point(°C)94°C/20mmHg
Molecular Weight183.040 g/mol
XLogP33.400
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count1
Exact Mass181.973 Da
Monoisotopic Mass181.973 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count9
Formal Charge0
Complexity98.700
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
1. Guangjun Ji, CunYao Li, Xiangsong Lin, Xiao-Feng Wu, Li Yan, Yunjie Ding.  (2022)  Fabrication of the Microenvironment and Active Structure of Single-Rh-Site Catalysts for Efficient Hydroformylation of Olefins.  ACS Sustainable Chemistry & Engineering,      [PMID:] [10.1021/acssuschemeng.2c04674]
2. Qiang Chen, Zhi-Pu Li, Xiao-Qiong Pei, Yan Liu, M. Qaiser Fatmi, Zhong-Liu Wu.  (2024)  Thermostabilization and molecular dynamics simulation of NaStyA for highly enantioselective (R)-epoxidation of styrene analogues.  Molecular Catalysis,      [PMID:] [10.1016/j.mcat.2024.114312]
3. Guangjun Ji, Cunyao Li, Dong Xiao, Guoqing Wang, Zhao Sun, Miao Jiang, Guangjin Hou, Li Yan, Yunjie Ding.  (2021)  The effect of the position of cross-linkers on the structure and microenvironment of PPh3 moiety in porous organic polymers.  Journal of Materials Chemistry A,  (14): (9165-9174).  [PMID:] [10.1039/D0TA12316A]
Solution Calculators
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