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1,3,5-trichlorobenzene
benzene, 1,3,5-trichloro-

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Name:1,3,5-trichlorobenzene
CAS Number: 108-70-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:203-608-6
FDA UNII: 2HS4M0BX3C
Nikkaji Web:J2.427I
MDL:MFCD00000585
XlogP3:4.20 (est)
Molecular Weight:181.44591000
Formula:C6 H3 Cl3
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:pharmaceuticals / chemical synthisis
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
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Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:white crystals (est)
Assay: 95.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: 63.50 °C. @ 760.00 mm Hg
Boiling Point: 208.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.267000 mmHg @ 25.00 °C. (est)
Flash Point: 260.00 °F. TCC ( 126.67 °C. )
logP (o/w): 4.190
Soluble in:
 water, 6.01 mg/L @ 25 °C (exp)
 water, 14.31 mg/L @ 25 °C (est)
 
Organoleptic Properties:
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Noble Molecular Research
For experimental / research use only.
1,3,5-Trichlorobenzene
Penta International
1,3,5-TRICHLOROBENZENE
Santa Cruz Biotechnology
For experimental / research use only.
1,3,5-Trichlorobenzene
Sigma-Aldrich: Aldrich
For experimental / research use only.
1,3,5-Trichlorobenzene 99%
TCI AMERICA
For experimental / research use only.
1,3,5-Trichlorobenzene >99.0%(GC)
 
Safety Information:
Preferred SDS: View
 
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:
intraperitoneal-mouse LD50 2260 mg/kg
Mutagenesis. Vol. 2, Pg. 111, 1987.

oral-mouse LD50 3350 mg/kg
National Technical Information Service. Vol. UCRL-13701

oral-rat LD50 800 mg/kg
"Industrial and Environmental Xenobiotics: Metabolism and Pharmacokinetics of Organic Chemicals and Metals, Proceedings of an International Conference, Prague, 1980," Gut, I., et al., Berlin, Fed. Rep, Ger., Springer-Verlag, 1981Vol. -, Pg. 389, 1981.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC > 9300 mg/m3/1H
National Technical Information Service. Vol. OTS0537049

 
Safety in Use Information:
Category:
pharmaceuticals / chemical synthisis
Recommendation for 1,3,5-trichlorobenzene usage levels up to:
 not for fragrance use.
 
Recommendation for 1,3,5-trichlorobenzene flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
NIOSH International Chemical Safety Cards:search
Chemical Carcinogenesis Research Information System:Search
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA GENetic TOXicology:Search
EPA Substance Registry Services (TSCA):108-70-3
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7950
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
1,3,5-trichlorobenzene
Chemidplus:0000108703
EPA/NOAA CAMEO:hazardous materials
RTECS:108-70-3
 
References:
 1,3,5-trichlorobenzene
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:108-70-3
Pubchem (cid):7950
Pubchem (sid):134970683
Pherobase:View
 
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
HMDB (The Human Metabolome Database):Search
Export Tariff Code:2903.69.1000
ChemSpider:View
Wikipedia:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 benzene, 1,3,5-trichloro-
1,3,5-tris(chloranyl)benzene
1,3,5-trichlorbenzol
1,3,5-trichloro-benzene
sym-trichlorobenzene
 

Articles:

PubMed:Optimization of headspace solid phase microextraction based on nano-structured ZnO combined with gas chromatography-mass spectrometry for preconcentration and determination of ultra-traces of chlorobenzenes in environmental samples.
PubMed:Dehalogenation of chlorobenzenes, dichlorotoluenes, and tetrachloroethene by three Dehalobacter spp.
PubMed:Determination of chlorobenzenes in water samples based on fully automated microextraction by packed sorbent coupled with programmed temperature vaporization-gas chromatography-mass spectrometry.
PubMed:The use of effective fragment potentials in the design and synthesis of molecularly imprinted polymers for the group recognition of PCBs.
PubMed:Evidence of micropore filling for sorption of nonpolar organic contaminants by condensed organic matter.
PubMed:Enrichment of hexachlorobenzene and 1,3,5-trichlorobenzene transforming bacteria from sediments in Germany and Vietnam.
PubMed:Segregated versus mixed interchain stacking in highly oriented films of naphthalene diimide bithiophene copolymers.
PubMed:Mapping the 3D distribution of CdSe nanocrystals in highly oriented and nanostructured hybrid P3HT-CdSe films grown by directional epitaxial crystallization.
PubMed:Strategy for polychlorinated biphenyl detection based on specific inhibition of charge transport using a nanogapped gold particle film.
PubMed:Effect of heat treatment on sorption of polar and nonpolar compounds to montmorillonites and soils.
PubMed:In situ hydrothermal grown silicalite-1 coating for solid-phase microextraction.
PubMed:Analytical method development using functionalized polysulfone membranes for the determination of chlorinated hydrocarbons in water.
PubMed:Determination of organic priority pollutants in sewage treatment plant effluents by gas chromatography high-resolution mass spectrometry.
PubMed:Hexachlorobenzene dechlorination as affected by nitrogen application in acidic paddy soil.
PubMed:Induction of hydroxyl radical production in Trametes versicolor to degrade recalcitrant chlorinated hydrocarbons.
PubMed:Investigating roles of organic and inorganic soil components in sorption of polar and nonpolar aromatic compounds.
PubMed:Phytotoxicity of chlorinated benzenes to Typha angustifolia and Phragmites communis.
PubMed:Aerobic degradation of di- and trichlorobenzenes by two bacteria isolated from polluted tropical soils.
PubMed:Sorption of organic pollutants by marine sediments: implication for the role of particulate organic matter.
PubMed:Influence of dispersants on bioconcentration factors of seven organic compounds with different lipophilicities and structures.
PubMed:Effect of additives on photodegradation of 1,3,5-trichlorobenzene in aqueous surfactant solutions.
PubMed:Characterization of aromatic compound sorptive interactions with black carbon (charcoal) assisted by graphite as a model.
PubMed:Photodegradation of 1,3,5-trichlorobenzene in aqueous surfactant solutions.
PubMed:[Sorption and desorption of hydrophobic organic contaminants (HOCs) by different type of coal].
PubMed:Intercorrelations among degree of geochemical alterations, physicochemical properties, and organic sorption equilibria of kerogen.
PubMed:Importance of adsorption (hole-filling) mechanism for hydrophobic organic contaminants on an aquifer kerogen isolate.
PubMed:Dehalococcoides ethenogenes strain 195 reductively dechlorinates diverse chlorinated aromatic pollutants.
PubMed:Dehalorespiration with hexachlorobenzene and pentachlorobenzene by Dehalococcoides sp. strain CBDB1.
PubMed:Kerogen in aquifer material and its strong sorption for nonionic organic pollutants.
PubMed:Engineering substrate recognition in catalysis by cytochrome P450cam.
PubMed:Trace analysis of trichlorobenzenes in fish by microwave-assisted extraction and gas chromatography-electron-capture detection.
PubMed:Dehalogenation potential of municipal waste incineration fly ash. II. Comparison of dehalogenation pathways of fly ash and model fly ash with thermodynamic calculations.
PubMed:Sorption and desorption hysteresis of organic contaminants by kerogen in a sandy aquifer material.
PubMed:The role of condensed organic matter in the nonlinear sorption of hydrophobic organic contaminants by a peat and sediments.
PubMed:Dechlorination of chlorobenzenes by a culture containing bacterium DF-1, a PCB dechlorinating microorganism.
PubMed:Crystal structure of the F87W/Y96F/V247L mutant of cytochrome P-450cam with 1,3,5-trichlorobenzene bound and further protein engineering for the oxidation of pentachlorobenzene and hexachlorobenzene.
PubMed:Correlation of gas chromatographic properties of chlorobenzenes and polychlorinated biphenyls with the occurrence of reductive dechlorination by untamed microorganisms.
PubMed:Oxidation of polychlorinated benzenes by genetically engineered CYP101 (cytochrome P450(cam)).
PubMed:1,3,5-Trialkyl-2,4,6-triiodobenzenes: novel X-ray contrast agents for gastrointestinal imaging.
PubMed:Levels of chlorinated hydrocarbon residues in Canadian human breast milk and their relationship to some characteristics of the donors.
PubMed:Effects of chlorinated benzenes on diatom fatty acid composition and quantitative morphology. II. 1,3,5-Trichlorobenzene.
PubMed:Reductive dechlorination of hexachlorobenzene to tri- and dichlorobenzenes in anaerobic sewage sludge.
PubMed:Carcinogenicity study in rats with a mixture of eleven volatile halogenated hydrocarbon drinking water contaminants.
PubMed:Mechanism of biosynthesis of methylsulfones from PCBs and related compounds.
PubMed:Subchronic inhalation toxicity of 1,3,5-trichlorobenzene.
PubMed:Perturbation of lipid membranes by organic pollutants.
PubMed:Effects of halogenated benzenes on arylesterase activity in vivo and in vitro.
PubMed:Effect of halogenated benzenes on acetanilide esterase, acetanilide hydroxylase and procaine esterase in rats.
PubMed:[Identification of metabolites and metabolism of hexachlorobenzene in a mold culture].
 
Notes:
None found
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