4,4-Difluoropiperidine hydrochloride - CAS 144230-52-4

Catalog:	BB009745
Product Name:	4,4-Difluoropiperidine hydrochloride
CAS:	144230-52-4
Synonyms:	4,4-difluoropiperidine;hydrochloride

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4,4-difluoropiperidine;hydrochloride
Description:	4,4-Difluoropiperidine hydrochloride (CAS# 144230-52-4) is a useful research chemical for organic synthesis and other chemical processes.
Molecular Weight:	157.59
Molecular Formula:	C5H9F2N · HCl
Canonical SMILES:	C1CNCCC1(F)F.Cl
InChI:	InChI=1S/C5H9F2N.ClH/c6-5(7)1-3-8-4-2-5;/h8H,1-4H2;1H
InChI Key:	OABUKBBBSMNNPM-UHFFFAOYSA-N
Boiling Point:	114.3 °C at 760 mmHg
Purity:	97.0 %
Density:	1.222 g/cm³
Appearance:	White to off-white powder or crystalline powder
MDL:	MFCD03095381
LogP:	2.13590

Publication Number	Title	Priority Date
WO-2021209484-A1	Benzimidazole derivatives	20200416
WO-2021210586-A1	Condensed heterocyclic compound	20200414
WO-2021211549-A1	Kif18a inhibitors for treatment of neoplastic diseases	20200414
WO-2021187605-A1	NITROGEN-CONTAINING HETEROCYCLIC Î±-CYANO CARBONYL COMPOUND	20200319
CN-113354590-A	Quinazolinone compound for antagonizing NOD1/2 receptor signal pathway	20200305

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GHS Hazard Statement:	H315 (17.39%): 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:	74.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	157.0469833
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	157.0469833
Rotatable Bond Count:	0
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0