Pentachlorocyclopropane - CAS 6262-51-7

Catalog:	BB031699
Product Name:	Pentachlorocyclopropane
CAS:	6262-51-7
Synonyms:	1,1,2,2,3-pentachlorocyclopropane

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Computed Properties

IUPAC Name:	1,1,2,2,3-pentachlorocyclopropane
Description:	Pentachlorocyclopropane (CAS# 6262-51-7) is a useful research chemical.
Molecular Weight:	214.31
Molecular Formula:	C3HCl5
Canonical SMILES:	C1(C(C1(Cl)Cl)(Cl)Cl)Cl
InChI:	InChI=1S/C3HCl5/c4-1-2(5,6)3(1,7)8/h1H
InChI Key:	IACJMSLMMMSESC-UHFFFAOYSA-N
Boiling Point:	55-56 ℃ / 7 mmHg (lit.)
Density:	1.668 g/cm³
Appearance:	Colorless liquid
MDL:	MFCD00010796
LogP:	2.95520

Publication Number	Title	Priority Date
CN-113200932-A	Synthetic method of oxazolidinone	20210507
CN-112624990-A	Nitrogen-containing heterocycle substituted cyclopropane compound and application thereof	20191008
CN-112625023-A	Sulfur-containing heterocycle substituted cyclopropane compound and application thereof	20191008
CN-112409407-A	Production method of organic phosphorus compound	20190822
CN-112279747-A	Preparation method of pentachlorocyclopropane	20190724

PMID	Publication Date	Title	Journal
22111986	20120112	Matrix and polymer soft-landing isolation of selected acids with pyridine and poly(4-vinylpyridine): a comparative infrared spectroscopic study of hydrogen bonding	The journal of physical chemistry. B
16834216	20050922	Pentachlorocyclopropane/base complexes: matrix isolation infrared spectroscopic and density functional study of C-H- - -N hydrogen bonds	The journal of physical chemistry. A

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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:	103
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	213.849138
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	211.852089
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3