Bicyclo[2.2.1]hept-2-ene - CAS 498-66-8

Catalog:	BB026850
Product Name:	Bicyclo[2.2.1]hept-2-ene
CAS:	498-66-8
Synonyms:	bicyclo[2.2.1]hept-2-ene

Technical Data

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Computed Properties

IUPAC Name:	bicyclo[2.2.1]hept-2-ene
Description:	Bicyclo[2.2.1]hept-2-ene (CAS# 498-66-8) is a catalyst used in many reactions such as in the CAScade cyclizations of iodoarene, bromobenzylamine, and electron-deficient alkene derivatives and arene C-H amination with aryl halides.
Molecular Weight:	94.15
Molecular Formula:	C7H10
Canonical SMILES:	C1CC2CC1C=C2
InChI:	InChI=1S/C7H10/c1-2-7-4-3-6(1)5-7/h1-2,6-7H,3-5H2
InChI Key:	JFNLZVQOOSMTJK-UHFFFAOYSA-N
Boiling Point:	96 °C
Melting Point:	42-46 °C
Purity:	95 %
Density:	0.955 g/cm³
Appearance:	White crystalline mass
Storage:	0-6 °C
LogP:	1.97250

Publication Number	Title	Priority Date
US-2015378205-A1	Light controlling apparatus and transparent display including the same	20140630
EP-2960714-A1	Light controlling apparatus, method of fabricating the light controlling apparatus, and transparent display device including the light controlling apparatus	20140627
WO-2015196454-A1	Flexible elastic rubber compounds with improved dielectric and tear strength for cold shrink splices and preparation method thereof	20140627
WO-2015196458-A1	In-situ compatibilization of silicone rubber/polyolefin elastomer blends by forming ionomers for cold shrink splice and preparation method thereof	20140627
WO-2015200843-A1	Inhibitors of lysine specific demethylase-1	20140627

PMID	Publication Date	Title	Journal
23889305	20130909	Effect of 3D matrix compositions on the efficacy of EGFR inhibition in pancreatic ductal adenocarcinoma cells	Biomacromolecules
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
23073154	20121121	Unusual emission from norbornene derived phosphonate molecule--a sensor for Fe(III) in aqueous environment	Nanoscale
22995639	20121101	Novel dental restorative materials having low polymerization shrinkage stress via stress relaxation by addition-fragmentation chain transfer	Dental materials : official publication of the Academy of Dental Materials
22996838	20121029	A dicationic ruthenium alkylidene complex for continuous biphasic metathesis using monolith-supported ionic liquids	Chemistry (Weinheim an der Bergstrasse, Germany)

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GHS Hazard Statement:	H228 (100%): Flammable solid [Danger Flammable solids]; H319 (99.51%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H361 (77.45%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]; H411 (99.51%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P203, P210, P240, P241, P264+P265, P273, P280, P305+P351+P338, P318, P337+P317, P370+P378, P391, P405, and P501
Signal Word:	Warning

Complexity:	90.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	94.07825031899999
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	94.07825031899999
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4