1-BROMO-4-(2,2-DIFLUOROVINYL)BENZENE

Inquiry

Molecular Formula:

C8H5BrF2

Molecular Weight:

219.03

CAS Number:

84750-93-6

Catalog Number:

84750-93-6

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

Canonical 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.

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

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

217.95427 g/mol

Monoisotopic Mass

217.95427 g/mol

Topological Polar Surface Area

0Å²

Heavy Atom Count

Formal Charge

Complexity

144

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

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

The molarity calculator equation

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

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The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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