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

3-Bromo-3,3-difluoro-1-propene - CAS 420-90-6

Catalog:	BB025041
Product Name:	3-Bromo-3,3-difluoro-1-propene
CAS:	420-90-6
Synonyms:	3-bromo-3,3-difluoro-1-propene; 3-bromo-3,3-difluoroprop-1-ene

Technical Data

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Computed Properties

IUPAC Name:	3-bromo-3,3-difluoroprop-1-ene
Description:	3-Bromo-3,3-difluoro-1-propene (CAS# 420-90-6) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	156.96
Molecular Formula:	C3H3BrF2
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 ℃
Purity:	> 95.0 % (GC)
Density:	1.55 g/cm³
Appearance:	Colorless to light yellow clear liquid
Storage:	0-10 ℃
MDL:	MFCD00042185
LogP:	2.16010
Refractive Index:	1.38

Publication Number	Title	Priority Date
CN-111875732-A	Low-temperature-resistant fluororubber and preparation method thereof	20200818
US-2021299100-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
WO-2021186324-A1	Biaryl derivatives as yap/taz-tead protein-protein interaction inhibitors	20200316
CN-113072476-A	ROR gamma t inhibitor and preparation method and application thereof	20200106
CN-113072542-A	ROR gamma t inhibitor and preparation method and application thereof	20200106

PMID	Publication Date	Title	Journal
14770232	20040221	Synthesis of 4,4-difluoroglycosides using ring-closing metathesis	Organic & biomolecular chemistry

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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

Complexity:	59.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	155.93862
Formal Charge:	0
Heavy Atom Count:	6
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	155.93862
Rotatable Bond Count:	1
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4