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

Name: 2,2-Difluoro-1,3-propanediol
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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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

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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