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bromuconazole
1H-1,2,4-triazole, 1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-

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Name:1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
CAS Number: 116255-48-2Picture of molecule3D/inchi
FDA UNII: PHS29ZMZ81
Nikkaji Web:J705.362B
Beilstein Number:8393967
MDL:MFCD01678688
XlogP3:3.60 (est)
Molecular Weight:377.06684000
Formula:C13 H12 Br Cl2 N3 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:herbicides / pesticides
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 84.00 °C. @ 760.00 mm Hg
Boiling Point: 504.30 °C. @ 760.00 mm Hg (est)
Vapor Pressure:3.000000 mmHg @ 25.00 °C. (est)
Flash Point: 498.00 °F. TCC ( 258.80 °C. ) (est)
logP (o/w): 3.240
Soluble in:
 water, 50 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Bromuconazole
Sigma-Aldrich
For experimental / research use only.
Bromuconazole PESTANAL®, analytical standard
 
Safety Information:
 
Hazards identification
 
Classification of the substance or mixture
GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)
None found.
GHS Label elements, including precautionary statements
 
Pictogram
 
Hazard statement(s)
None found.
Precautionary statement(s)
None found.
Oral/Parenteral Toxicity:
oral-duck LD50 > 2150 mg/kg
Pesticide Manual. Vol. 9, Pg. 1140, 1991.

oral-mouse LD50 1151 mg/kg
Pesticide Manual. Vol. 9, Pg. 1140, 1991.

oral-quail LD50 > 2150 mg/kg
Pesticide Manual. Vol. 9, Pg. 1140, 1991.

oral-rat LD50 365 mg/kg
Pesticide Manual. Vol. 9, Pg. 1140, 1991.

Dermal Toxicity:
skin-rat LD50 > 2000 mg/kg
Pesticide Manual. Vol. 9, Pg. 1140, 1991.

Inhalation Toxicity:
inhalation-rabbit LC50 > 5000 mg/m3
Pesticide Manual. Vol. 9, Pg. 1140, 1991.
 
Safety in Use Information:
Category:
herbicides / pesticides
Recommendation for bromuconazole usage levels up to:
 not for fragrance use.
 
Recommendation for bromuconazole flavor usage levels up to:
 not for flavor use.
 
Safety References:
European Food Safety Authority (EFSA) reference(s):

Reasoned opinion on the modification of the existing MRLs for bromuconazole in wheat and rye
View page or View pdf

Retrospective analysis of the immunotoxic effects of plant protection products as reported in the Draft Assessment Reports for their peer review at EU level
View page or View pdf

Review of the existing maximum residue levels for bromuconazole according to Article 12 of Regulation (EC) No 396/2005
View page or View pdf

EPI System: View
NIOSH International Chemical Safety Cards:search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :3444
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
Chemidplus:0116255482
RTECS:116255-48-2
 
References:
 1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):3444
Pubchem (sid):135047635
 
Other Information:
(IUPAC):Atomic Weights of the Elements 2011 (pdf)
Videos:The Periodic Table of Videos
tgsc:Atomic Weights use for this web site
(IUPAC):Periodic Table of the Elements
CHEBI:View
CHEMBL:View
KEGG (GenomeNet):C18704
HMDB (The Human Metabolome Database):Search
ChemSpider:View
Wikipedia:View
EFSA Update of results on the monitoring of furan levels in food:Read Report
EFSA Previous report: Results on the monitoring of furan levels in food:Read Report
EFSA Report of the CONTAM Panel on provisional findings on furan in food:Read Report
Formulations/Preparations:
•emulsifiable concentrate, granule, suspension concentrate. •technical is > or =96% pure. •trade names: granit, vectra (rhone-poulenc)
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
1-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole
1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-1H-1,2,4-triazole
1-((2RS,4RS,2RS,4SR)-4-bromo-2-(2,4-dichlorophenyl)tetrahydrofurfuryl)-1H-1,2,4-triazole
1H-1,2,4-triazole, 1-((4-bromo-2-(2,4-dichlorophenyl)tetrahydro-2-furanyl)methyl)-
 

Articles:

PubMed:Liquid chromatography-electrospray ionization tandem mass spectrometry and dynamic multiple reaction monitoring method for determining multiple pesticide residues in tomato.
PubMed:Environmental fungicides and triazole resistance in Aspergillus.
PubMed:Direct enantioseparation of nitrogen-heterocyclic pesticides on amylose-tris-(5-chloro-2-methylphenylcarbamate) by reversed-phase high-performance liquid chromatography.
PubMed:Effects of host physiology on the development of core rot, caused by alternaria alternata, in Red Delicious apples.
PubMed:HPLC-MS/MS enantioseparation of triazole fungicides using polysaccharide-based stationary phases.
PubMed:Triazole fungicides can induce cross-resistance to medical triazoles in Aspergillus fumigatus.
PubMed:Determination of azoles in sewage sludge from Spanish wastewater treatment plants by liquid chromatography-tandem mass spectrometry.
PubMed:Simultaneous enantioseparation of cyproconazole, bromuconazole, and diniconazole enantiomers by CD-modified MEKC.
PubMed:In vitro metabolism of the fungicide and environmental contaminant trans-bromuconazole and implications for risk assessment.
PubMed:Bioaccumulation and biotransformation of chiral triazole fungicides in rainbow trout (Oncorhynchus mykiss).
PubMed:Determination of 22 triazole compounds including parent fungicides and metabolites in apples, peaches, flour, and water by liquid chromatography/tandem mass spectrometry.
PubMed:Application of liquid chromatography with electrospray tandem mass spectrometry to the determination of a new generation of pesticides in processed fruits and vegetables.
 
Notes:
None found
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