5,5-Dimethoxy-1,2,3,4-tetrachlorocyclopentadiene - CAS 2207-27-4

Name: 5,5-Dimethoxy-1,2,3,4-tetrachlorocyclopentadiene
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB017340
Product Name:	5,5-Dimethoxy-1,2,3,4-tetrachlorocyclopentadiene
CAS:	2207-27-4
Synonyms:	1,2,3,4-tetrachloro-5,5-dimethoxycyclopenta-1,3-diene

Technical Data

IUPAC Name:	1,2,3,4-tetrachloro-5,5-dimethoxycyclopenta-1,3-diene
Description:	5,5-Dimethoxy-1,2,3,4-tetrachlorocyclopentadiene, can form endo-adduct with 1,3-cyclopentadiene.
Molecular Weight:	263.93
Molecular Formula:	C7H6Cl4O2
Canonical SMILES:	COC1(C(=C(C(=C1Cl)Cl)Cl)Cl)OC
InChI:	InChI=1S/C7H6Cl4O2/c1-12-7(13-2)5(10)3(8)4(9)6(7)11/h1-2H3
InChI Key:	UHSMEJQTFMHABA-UHFFFAOYSA-N
Boiling Point:	108-110 °C (11 mmHg)
Melting Point:	26-28 °C
Purity:	95 %
Density:	1.501 g/cm³
Appearance:	Solid
Storage:	2-8 °C
MDL:	MFCD00001353
LogP:	3.36750

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362
Signal Word:	Warning

Publication Number	Title	Priority Date
CA-3039070-A1	Inhibitors of mtor-deptor interactions and methods of use thereof	20161107
EP-3535239-A1	Inhibitors of mtor-deptor interactions and methods of use thereof	20161107
JP-2019535815-A	Inhibitor of mTOR-DEPTOR interaction and method of use thereof	20161107
KR-20190114955-A	Inhibitors of MTOR-DEPTOR interactions and methods of using the same	20161107
US-2019330142-A1	Inhibitors of mtor-deptor interactions and methods of use thereof	20161107

PMID	Publication Date	Title	Journal
23032707	20121121	The stereochemical outcome of allyl magnesium and indium additions to 5-substituted norbornen-7-ones and its application to cis fused carbocycle formation via ring rearrangement metathesis	Organic & biomolecular chemistry
11597208	20011019	Oxa bowls: synthesis and C-H...O mediated solid state structure of pentaoxa-[5]-peristylane	The Journal of organic chemistry

Complexity:	265
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	263.909240
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.912190
Rotatable Bond Count:	2
Topological Polar Surface Area:	18.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5