2-Bromostyrene

Product Information

Molecular Formula:
C8H7Br
Molecular Weight:
183.04
Description
2-Bromostyrene is a versatile pharmaceutical intermediate commonly used in biomedical research. Its applications focus primarily on the synthesis of various medical drugs, including those targeted towards cardiovascular diseases and neurological disorders.
Synonyms
1-Bromo-2-vinylbenzene; 2-bromoethenylbenzene; benzene,1-bromo-2-ethenyl-; o-Bromovinylbenzene; Styrene, o-bromo-; styrene,2-bromo-; O-BROMOSTYRENE; 2-BROMOSTYRENE
IUPAC Name
1-bromo-2-ethenylbenzene
Canonical SMILES
C=CC1=CC=CC=C1Br
InChI
InChI=1S/C8H7Br/c1-2-7-5-3-4-6-8(7)9/h2-6H,1H2
InChI Key
SSZOCHFYWWVSAI-UHFFFAOYSA-N
Boiling Point
102-104ºC (22 mmHg)
Melting Point
-53ºC
Flash Point
86 ℃
Purity
95%
Density
1.46
Appearance
Clear colorless liquid
Storage
2-8ºC
Refractive Index
n20/D 1.592 (lit.)

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P264:
Wash thoroughly after handling.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352:
IF ON SKIN:
Wash with plenty of soap and water.
P332+P313:
If skin irritation occurs:
Get medical advice/attention.
P337+P313:
If eye irritation persists:
Get medical advice/attention.
P362+P364:
Take off contaminated clothing. [As modified by IV ATP].
And wash it before reuse. [Added by IV ATP].

Computed Properties

XLogP3
3.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
1
Exact Mass
181.97311 g/mol
Monoisotopic Mass
181.97311 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
98.7
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113956384-A Preparation method of efficient flame-retardant polystyrene resin 2021-11-12
CN-113862708-A Method for electrochemically synthesizing beta-cyano-bis-phenylsulfonyl imide compound 2021-11-03
CN-113880873-A Hydroboration reaction method for catalyzing olefin by calcium halide 2021-10-25
CN-113956159-A Preparation method of difluoro three-membered ring compound 2021-09-30
CN-113582915-A Synthesis method of 4-substituted pyridine compound 2021-07-25
CN-113173890-A Preparation method and application of bactericide containing isoxazole and stilbene 2021-04-27
KR-102313853-B1 Adhesive composition and packaging material for battery 2021-02-26
KR-102336272-B1 Adhesive composition and packaging material for battery 2021-02-19
CN-112662638-A Function of novel R-selective styrene monooxygenase 2021-01-18
CN-112321436-A Method for synthesizing heteroatom-substituted aromatic compound from styrene compound 2020-11-06

Literatures

PMID Publication Date Title Journal
22590413 2012-05-01 1-(2-Bromophenyl)ethane-1,2-diyl 1,1'-biphenyl-2,2'-dicarboxylate Acta crystallographica. Section E, Structure reports online
20858012 2010-10-13 Synthesis of heterocycles via Pd-ligand controlled cyclization of 2-chloro-N-(2-vinyl)aniline: preparation of carbazoles, indoles, dibenzazepines, and acridines Journal of the American Chemical Society
15624946 2005-01-07 Microwave-enhanced carbonylative generation of indanones and 3-acylaminoindanones The Journal of organic chemistry
14735518 2004-01-23 Palladium-catalyzed cross-coupling reactions of amines with alkenyl bromides: a new method for the synthesis of enamines and imines Chemistry (Weinheim an der Bergstrasse, Germany)
14682725 2003-12-26 Tandem or sequential coupling-IMDA cycloaddition approach to highly fused polycarbocycles The Journal of organic chemistry
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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