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
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
102-104°C (22 mmHg)
Melting Point
-53°C
Flash Point
86 °C
Purity
95%
Density
1.46
Appearance
Clear colorless liquid
Storage
2-8°C
Refractive Index
n20/D 1.592 (lit.)
Safety Information
Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
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].
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 |
