Benzocyclobutene - CAS 694-87-1

Catalog:	BB033845
Product Name:	Benzocyclobutene
CAS:	694-87-1
Synonyms:	bicyclo[4.2.0]octa-1,3,5-triene

Technical Data

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Computed Properties

IUPAC Name:	bicyclo[4.2.0]octa-1,3,5-triene
Description:	Benzocyclobutene has been used to make a dielectric layer for organic thin film transistors.
Molecular Weight:	104.15
Molecular Formula:	C8H8
Canonical SMILES:	C1CC2=CC=CC=C21
InChI:	InChI=1S/C8H8/c1-2-4-8-6-5-7(8)3-1/h1-4H,5-6H2
InChI Key:	UMIVXZPTRXBADB-UHFFFAOYSA-N
Boiling Point:	150 °C (748 mmHg)
Purity:	98 %
Density:	0.957 g/cm³
Appearance:	Colorless to light yellow clear liquid
MDL:	MFCD01321219
LogP:	1.78520

Publication Number	Title	Priority Date
US-2015376495-A1	Polymer and organic light-emitting device	20140627
WO-2015198073-A1	Charge-transfer salt comprising an organic semiconducting material	20140627
WO-2015198232-A1	Fused triterpene compounds and uses thereof	20140625
US-2015372241-A1	Organic compound, and organic thin film and electronic device	20140623
US-2015361106-A1	Beta-lactamase inhibitors	20140611

PMID	Publication Date	Title	Journal
22907001	20120820	Hybrid integrated photodetector with flat-top steep-edge spectral response	Applied optics
22418161	20120213	Compact electric field sensors based on indirect bonding of lithium niobate to silicon microrings	Optics express
22314379	20120207	Benzoxetes and benzothietes--heterocyclic analogues of benzocyclobutene	Molecules (Basel, Switzerland)
22274379	20120102	CO2 laser induced refractive index changes in optical polymers	Optics express
22142544	20120101	Synthesis of dihydrofuran-fused perhydrophenanthrenes having a phenolic hydroxyl group as a novel anti-Alzheimer's disease agent	Bioorganic & medicinal chemistry letters

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GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P271, P273, P280, P303+P361+P353, P304+P312, P304+P340, P312, P370+P378, P403+P235, and P501
Signal Word:	Warning

Complexity:	74
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	104.062600255
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	104.062600255
Rotatable Bond Count:	0
Topological Polar Surface Area:	0 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8