Dibromoisocyanuric Acid - CAS 15114-43-9

Catalog:	BB010616
Product Name:	Dibromoisocyanuric Acid
CAS:	15114-43-9
Synonyms:	1,3-dibromo-1,3,5-triazinane-2,4,6-trione; 1,3-dibromo-1,3,5-triazinane-2,4,6-trione

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Computed Properties

IUPAC Name:	1,3-dibromo-1,3,5-triazinane-2,4,6-trione
Description:	Dibromoisocyanuric Acid (CAS# 15114-43-9) is a bromine compound with a superior bactericidal activity.
Molecular Weight:	286.87
Molecular Formula:	C3HBr2N3O3
Canonical SMILES:	C1(=O)NC(=O)N(C(=O)N1Br)Br
InChI:	InChI=1S/C3HBr2N3O3/c4-7-1(9)6-2(10)8(5)3(7)11/h(H,6,9,10)
InChI Key:	HHBCEKAWSILOOP-UHFFFAOYSA-N
Density:	2.789 g/cm³
Appearance:	Light yellow solid
MDL:	MFCD00463941
LogP:	-0.98570

Publication Number	Title	Priority Date
CN-113502490-A	Electrochemical oxidation reaction method for synthesizing tetrazene compound	20210816
CN-113336781-A	Preparation method of clitorium	20210615
CN-113024780-A	Polymer receptor material based on A-DA' D-A type small molecule receptor unit and preparation method and application thereof	20210311
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PMID	Publication Date	Title	Journal
17887710	20071012	Core-tetrasubstituted naphthalene diimides: synthesis, optical properties, and redox characteristics	The Journal of organic chemistry

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GHS Hazard Statement:	H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
Precautionary Statement:	P210, P220, P221, P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P370+P378, P405, and P501
Signal Word:	Danger

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	286.83642
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	284.83847
Rotatable Bond Count:	0
Topological Polar Surface Area:	69.7 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8