2,2-Difluoro-1,3-propanediol - CAS 428-63-7

Catalog:	BB025257
Product Name:	2,2-Difluoro-1,3-propanediol
CAS:	428-63-7
Synonyms:	2,2-difluoropropane-1,3-diol; 2,2-difluoropropane-1,3-diol

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2,2-difluoropropane-1,3-diol
Description:	2,2-Difluoro-1,3-propanediol (CAS# 428-63-7) is a useful research chemical.
Molecular Weight:	112.08
Molecular Formula:	C3H6F2O2
Canonical SMILES:	C(C(CO)(F)F)O
InChI:	InChI=1S/C3H6F2O2/c4-3(5,1-6)2-7/h6-7H,1-2H2
InChI Key:	AMCKYDINHDOOCB-UHFFFAOYSA-N
Boiling Point:	250.9 °C at 760 mmHg
Density:	1.334 g/cm³
MDL:	MFCD16619633
LogP:	-0.39370

Publication Number	Title	Priority Date
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WO-2021121294-A1	Triazolopyridazine derivative, preparation method therefor, pharmaceutical composition thereof, and use thereof	20191216
US-2020002331-A1	Solid forms of 3-((1r,3r)-1-(2,6-difluoro-4-((1-(3-fluoropropyl)azetidin-3-yl)amino)phenyl)-3-methyl-1,3,4,9-tetrahydro-2h-pyrido[3,4-b]indol-2-yl)-2,2-difluoropropan-1-ol and processes for preparing fused tricyclic compounds comprising a substituted phenyl or pyridinyl moiety, including methods of their use	20180621

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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:	48.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	112.03358575
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	112.03358575
Rotatable Bond Count:	2
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5