4-Bromobenzocyclobutene - CAS 1073-39-8

Catalog:	BB002060
Product Name:	4-Bromobenzocyclobutene
CAS:	1073-39-8
Synonyms:	3-bromobicyclo[4.2.0]octa-1(6),2,4-triene

Technical Data

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Computed Properties

IUPAC Name:	3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
Description:	4-Bromobenzocyclobutene (CAS# 1073-39-8) is a useful research chemical.
Molecular Weight:	183.05
Molecular Formula:	C8H7Br
Canonical SMILES:	C1CC2=C1C=CC(=C2)Br
InChI:	InChI=1S/C8H7Br/c9-8-4-3-6-1-2-7(6)5-8/h3-5H,1-2H2
InChI Key:	GMHHTGYHERDNLO-UHFFFAOYSA-N
Boiling Point:	221.4 °C at 760 mmHg
Purity:	95 %
Density:	1.564 g/cm³
MDL:	MFCD09029072
LogP:	2.54770

Publication Number	Title	Priority Date
KR-102267797-B1	Indenocabazole based copolymer for organic electroluminescent device and organic electroluminescent device comprising the same	20200224
KR-20210107276-A	Indenocabazole derivative compound for organic electroluminescent device and organic electroluminescent device comprising the same	20200224
CN-112694388-A	Naphthacene derivative and preparation method and application thereof	20191022
WO-2021078217-A1	Tetracene derivative, preparation method therefor, and use thereof	20191022
KR-20210023256-A	Organic light emitting device	20190822

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Halides

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[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.97311
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	0
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.97311
Rotatable Bond Count:	0
Topological Polar Surface Area:	0
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2