4-Bromo-1,8-naphthalic Anhydride - CAS 81-86-7

Name: 4-Bromo-1,8-naphthalic Anhydride
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036718
Product Name:	4-Bromo-1,8-naphthalic Anhydride
CAS:	81-86-7
Synonyms:	8-bromo-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione; 8-bromo-3-oxatricyclo[7.3.1.0^{5,13}]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione

Technical Data

IUPAC Name:	8-bromo-3-oxatricyclo[7.3.1.05,13]trideca-1(12),5(13),6,8,10-pentaene-2,4-dione
Description:	4-Bromo-1,8-naphthalic Anhydride (CAS# 81-86-7) is a reactant in the preparation of diethers with antiviral activity against group A and B human Rhinoviruses.
Molecular Weight:	277.07
Molecular Formula:	C12H5BrO3
Canonical SMILES:	C1=CC2=C(C=CC3=C2C(=C1)C(=O)OC3=O)Br
InChI:	InChI=1S/C12H5BrO3/c13-9-5-4-8-10-6(9)2-1-3-7(10)11(14)16-12(8)15/h1-5H
InChI Key:	DTUOTSLAFJCQHN-UHFFFAOYSA-N
Boiling Point:	467.2 °C at 760 mmHg
Melting Point:	217-219 °C (lit.)
Purity:	95 %
Density:	1.812 g/cm³
MDL:	MFCD00006927
LogP:	2.91290

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21932803	20111021	OFF-ON-OFF fluorescence switch with T-latch function	Organic letters
20543498	20100101	Determination of water content in organic solvents by naphthalimide derivative fluorescent probe	Analytical sciences : the international journal of the Japan Society for Analytical Chemistry

Complexity:	341
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	275.94221
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	275.94221
Rotatable Bond Count:	0
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2