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3-bromo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaene

3-bromo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaene - CAS 50548-45-3

Catalog:	BB027106
Product Name:	3-bromo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaene
CAS:	50548-45-3
Synonyms:	1-bromodibenzofuran; 1-bromodibenzofuran

Technical Data

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Computed Properties

IUPAC Name:	1-bromodibenzofuran
Description:	3-bromo-8-oxatricyclo[7.4.0.0²,⁷]trideca-1(9),2,4,6,10,12-hexaene (CAS# 50548-45-3) is a useful research chemical compound.
Molecular Weight:	247.091
Molecular Formula:	C12H7BrO
Canonical SMILES:	C1=CC=C2C(=C1)C3=C(O2)C=CC=C3Br
InChI:	InChI=1S/C12H7BrO/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H
InChI Key:	WUYYVOWEBMOELQ-UHFFFAOYSA-N
Boiling Point:	343.8 ± 15.0 °C
Purity:	99 %
Density:	1.577 ± 0.06 g/mL
Appearance:	White-like solids
LogP:	4.34850

Publication Number	Title	Priority Date
CN-113264944-A	Organic compound, organic electroluminescent material and device thereof	20210514
CN-113072560-A	Carbazole derivative and application thereof	20210409
CN-111689946-A	Carbazole aromatic ring thermal activation delayed fluorescent material and organic electroluminescent device thereof	20200617
CN-113429403-A	Amine compound and organic electroluminescent device comprising the same	20200323
KR-20210119006-A	Organic electroluminescence device and amine compound for organic electroluminescence device	20200323

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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

Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.96803
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	245.96803
Rotatable Bond Count:	0
Topological Polar Surface Area:	13.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4