2,2-Dibromo-2-cyanoacetamide - CAS 10222-01-2

Catalog:	BB000814
Product Name:	2,2-Dibromo-2-cyanoacetamide
CAS:	10222-01-2
Synonyms:	DBNPA; 2, 2-dibromo-2-cyano-acetamid; 2-cyano-2, 2-dibromo-acetamid; alpha, alpha-dibromo-alpha-cyanoacetamide; Dibromocyanoacetamide; dibromocyano acetic acid amide; dibromonitrilopropionamide; cyanodibromoacetamide
Application:	It is used as anti-microbial agent, controlling bacterial, fungal and algal growth in industrial water systems like cooling towers, pulp and paper mill process water, oil-recovery systems and air-conditioning systems. It is a chemical additive to control bacterial contamination in ethanol fermentation.

Technical Data

IUPAC Name:	2,2-dibromo-2-cyanoacetamide
Description:	DBNPA is used as anti-microbial agent, controlling bacterial, fungal and algal growth in industrial water systems like cooling towers, pulp and paper mill process water, oil-recovery systems and air-conditioning systems.
Molecular Weight:	241. 84
Molecular Formula:	C3H2ON2Br2
Canonical SMILES:	C(#N)C(C(=O)N)(Br)Br
InChI:	InChI=1S/C3H2Br2N2O/c4-3(5,1-6)2(7)8/h(H2,7,8)
InChI Key:	UUIVKBHZENILKB-UHFFFAOYSA-N
Boiling Point:	221.5±40.0°C at 760 mmHg
Melting Point:	123-126°C
Flash Point:	87.8±27.3°C
Purity:	0.99
Density:	2.451 g/cm³
Solubility:	In water, 1.5 g/100 mL (15,000 mg/L)
Appearance:	White powder
Storage:	Storage in shady room and dry place.
Decomposition:	When heated to decomposition it emits very toxic fumes of br(-) and /nitrogen oxides
MDL:	MFCD00129791
LogP:	1.18168
pH:	pH at 25 °C: 6.61 in 0.01% aqueous solution
Stability:	Stable under normal conditions, Decomposition accelerated by light & heat
Vapor Pressure:	0.0009 [mmHg]

GHS Hazard Statement:	H301 (83.06%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P262, P264, P270, P271, P272, P273, P280, P284, P301+P310, P301+P330+P331, P302+P350, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P320, P321, P322, P330, P332+P313, P333+P313, P361, P362, P363, P391, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
21937531	20120301	The chronic aquatic toxicity of a microbicide dibromonitrilopropionamide	Toxicology and industrial health
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
20549622	20101001	Environmental toxicity testing of contaminated soil based on microcalorimetry	Environmental toxicology
21052526	20100901	Challenges of molecular nutrition research 6: the nutritional phenotype database to store, share and evaluate nutritional systems biology studies	Genes & nutrition
20128697	20100301	Screening molecules for control of citrus huanglongbing using an optimized regeneration system for 'Candidatus Liberibacter asiaticus'-infected periwinkle (Catharanthus roseus) cuttings	Phytopathology

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	241.85134
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.85339
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6