1-Bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione - CAS 16079-88-2

Catalog:	BB011671
Product Name:	1-Bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione
CAS:	16079-88-2
Synonyms:	1-Bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione; 1-BROMO-3-CHLORO-5,5-DIMETHYL-2,4-IMIDAZOLIDINEDIONE; 1-Bromo-3-chloro-5,5-dimethyl-2,4-imidazolidinedione; 2,4-Imidazolidinedione, 1-bromo-3-chloro-5,5-dimethyl-

Technical Data

IUPAC Name:	1-bromo-3-chloro-5,5-dimethylimidazolidine-2,4-dione
Description:	1-Bromo-3-chloro-5,5-dimethylhydantoin (CAS# 16079-88-2) is used in preparation of Bromo Cloro Dimethylimidazolidine Dion powder.
Molecular Weight:	241.47
Molecular Formula:	C5H6BrClN2O2
Canonical SMILES:	CC1(C(=O)N(C(=O)N1Br)Cl)C
InChI:	InChI=1S/C5H6BrClN2O2/c1-5(2)3(10)8(7)4(11)9(5)6/h1-2H3
InChI Key:	PIEXCQIOSMOEOU-UHFFFAOYSA-N
Boiling Point:	232.7°C at 760mmHg
Melting Point:	159 - 163°C (Decomposes)
Flash Point:	94.5°C
Purity:	0.99
Density:	1.91 g/cm3
Solubility:	In water, 0.15 g/100g water at 20 °C
Appearance:	White to off-white solid
Decomposition:	When heated to decomposition it emits toxic vapors of /nitrogen oxides, Hydrogen bromide, And hydrogen chloride
MDL:	MFCD00037350
LogP:	1.3687
pH:	pH of 3.5 at 0.15% diluted solution
Stability:	Stable, but contact with combustible material may lead to fire. Incompatible with acids, organic materials, finely powdered metals.
Vapor Pressure:	0.00000661 [mmHg]

GHS Hazard Statement:	H272 (80.36%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]
Precautionary Statement:	P210, P220, P221, P260, P261, P264, P270, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P333+P313, P363, P370+P378, P391, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22786808	20120813	Enantioselective iridium-catalyzed hydrogenation of 3,4-disubstituted isoquinolines	Angewandte Chemie (International ed. in English)
22568840	20120601	Swimming pool contact dermatitis caused by 1-bromo-3-chloro-5,5-dimethyl hydantoin	Contact dermatitis
21461746	20111001	Effects of polarization in the presence and absence of biocides on biofilms in a simulated paper machine water	Journal of industrial microbiology & biotechnology
22108327	20110801	Study of the toxicity of 1-Bromo-3-chloro-5,5-dimethylhydantoin to zebrafish	Biomedical and environmental sciences : BES
18984007	20090101	Non-nucleoside HIV-1 reverse transcriptase inhibitors di-halo-indolyl aryl sulfones achieve tight binding to drug-resistant mutants by targeting the enzyme-substrate complex	Antiviral research

Complexity:	231
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.93012
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	239.93012
Rotatable Bond Count:	0
Topological Polar Surface Area:	40.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3