1-BROMO-4-(2,2-DIFLUOROVINYL)BENZENE
Product Information
Molecular Formula
C8H5BrF2
Molecular Weight
219.03
Description
1-Bromo-4-(2,2-difluorovinyl)benzene is a chemical reagent extensively utilized in biomedical research. It acts as a notable contributor in the synthesis of medicines, particularly cancer drugs, and is used to develop novel therapeutic agents to combat severe diseases.
Synonyms
2-(4-BROMOPHENYL)-1,1-DIFLUOROETHYLENE; 1-BROMO-4-(2,2-DIFLUOROVINYL)BENZENE; 4-BROMO-BETA,BETA-DIFLUOROSTYRENE; 4-Bromo-β,β-difluorostyrene (stabilized with TBC); 4-Bromo-beta,beta-difluorostyrene (stabilized with TBC)
IUPAC Name
1-bromo-4-(2,2-difluoroethenyl)benzene
SMILES
C1=CC(=CC=C1C=C(F)F)Br
InChI
InChI=1S/C8H5BrF2/c9-7-3-1-6(2-4-7)5-8(10)11/h1-5H
InChI Key
LXJISEJYMAHRKE-UHFFFAOYSA-N
Flash Point
81 °C
Purity
>98.0%(GC)
Density
1.57
Appearance
Colorless to Yellow clear liquid
Storage
<0°C
Refractive Index
1.54
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
2
Rotatable Bond Count
1
Exact Mass
217.95427 g/mol
Monoisotopic Mass
217.95427 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
11
Formal Charge
0
Complexity
144
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-108084588-A | A kind of body flame polystyrene type foaming imitated wood material and preparation method thereof | 2018-02-02 |
| EP-3239150-A1 | Heterocyclic compound | 2014-12-24 |
| EP-3239150-B1 | Heterocyclic compound | 2014-12-24 |
| US-10202376-B2 | Heterocyclic compound | 2014-12-24 |
| US-2017362223-A1 | Heterocyclic compound | 2014-12-24 |
| CN-104292165-A | Olefine compound containing fluorine and nitrogen heterocycle, and preparation method and application thereof | 2014-04-04 |
| JP-2014231508-A | Halogen-substituted heterocyclic compounds | 2013-05-02 |
| JP-2014201689-A | Physical property improving agent, method for producing the same, and rubber composition | 2013-04-08 |
| JP-2014201690-A | Reinforcing agent for rubber or plastic, method for producing the same, rubber composition and plastic composition | 2013-04-08 |
| JP-2014201700-A | Rubber or plastic property improving agent, method for producing the same, and rubber composition | 2013-04-08 |
