3-Bromo-3,3-difluoro-1-propene

Product Information

Molecular Formula:
C3H3BrF2
Molecular Weight:
156.96
Description
3-Bromo-3,3-difluoro-1-propene (CAS# 420-90-6) is a useful research chemical for organic synthesis and other chemical processes.
Synonyms
3-bromo-3,3-difluoro-1-propene; 3-bromo-3,3-difluoroprop-1-ene
IUPAC Name
3-bromo-3,3-difluoroprop-1-ene
Canonical SMILES
C=CC(F)(F)Br
InChI
InChI=1S/C3H3BrF2/c1-2-3(4,5)6/h2H,1H2
InChI Key
GDDNTTHUKVNJRA-UHFFFAOYSA-N
Boiling Point
42 °C
Purity
> 95.0 % (GC)
Density
1.55 g/cm3
Appearance
Colorless to light yellow clear liquid
Storage
0-10 °C
Refractive Index
1.38
LogP
2.16010

Safety Information

Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
2.4
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
155.93862 g/mol
Monoisotopic Mass
155.93862 g/mol
Topological Polar Surface Area
0Ų
Heavy Atom Count
6
Formal Charge
0
Complexity
59.8
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-111875732-A Low-temperature-resistant fluororubber and preparation method thereof 2020-08-18
CN-111875732-B Low-temperature-resistant fluororubber and preparation method thereof 2020-08-18
US-2022041621-A1 Modulators of cystic fibrosis transmembrane conductance regulator 2020-08-07
WO-2022032068-A1 Modulators of cystic fibrosis transmembrane conductance regulator 2020-08-07
WO-2022026285-A1 Polycyclic cap-dependent endonuclease inhibitors for treating or preventing influenza 2020-07-27
WO-2021247217-A1 Lpa receptor antagonists and uses thereof 2020-06-03
US-2021299100-A1 Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors 2020-03-16
WO-2021186324-A1 Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors 2020-03-16
CN-113072476-A ROR gamma t inhibitor and preparation method and application thereof 2020-01-06
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 2020-01-06

Literatures

PMID Publication Date Title Journal
14770232 2004-02-21 Synthesis of 4,4-difluoroglycosides using ring-closing metathesis Organic & biomolecular 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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