Grundinformationen
- CAS
650-51-1- Standard-SMILES
O=C([O-])C(Cl)(Cl)Cl.[Na+]- InChIKey
SAQSTQBVENFSKT-UHFFFAOYSA-M- Summenformel
- C2Cl3NaO2
- Durchschnittliche Molmasse
- 185,36 g/mol
- Monoisotopische Masse
- 183,88615656
Überblick
TCA-sodium is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- Sodium Trichloroacetate
- IUPAC
- sodium 2,2,2-trichloroacetate
- Lokaler Name
- TCA
- Englischer Name
- Sodium trichloroacetate
- Summenformel
- C2Cl3NaO2
- Molmasse
- 185.37
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
650-51-1- PubChem CID
- 23681045
- DTXSID
DTXSID6034924- ChEMBL
CHEMBL2028283- ChEBI
CHEBI:81976- UNII
- 2N76A3BRJ0
- EC Number
- 211-479-2
- Nikkaji
- J74.800E
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 40,1 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 87,8
Experimentelle und physikochemische Eigenschaften
Color/Form
Yellow powder
Colorless salt
Solubility
In water = 1.2 kg/l at 25 °C
Soluble in ethanol
In methanol 232, acetone 7.6, diethyl ether 0.2, benzene 0.07, carbon tetrachloride 0.04, heptane 0.02 (all in g/l, at 25 °C)
Solubility in water, g/100ml at 25 °C: 120 (very good)
Vapor Pressure
0.00000003 [mmHg]
<0.1 mPa at 70 °C
Physical Description
Yellow deliquescent solid; [Merck Index] White to yellow hygroscopic solid; [ICSC] Off-white granules; [MSDSonline]
HYGROSCOPIC WHITE-TO-YELLOW POWDER.
Other Experimental Properties
Deliquescent
Stable under dry conditions, but decomposes in aqueous, strongly alkaline media
In aqueous solution at 25 °C, only 1% of a 50% solution is hydrolyzed in 4-6 weeks
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · 300 °C
- Dichte
- 0.9 g/cm3 · 0.9 g/cm3
- storage temp.
- Sealed in dry,Room Temperature
- pka
- 0.6 · 0.6[at 20 ℃]
- Aggregatzustand
- Powder or Granular Powder
- Farbe
- White to off-white
- Wasserlöslichkeit
- Soluble in water, ethanol, methanol, acetone.
- Merck
- 14 · 14,9627
- BRN
- 3572664 · 3572664
- Kosmetik-Inhaltsstoffe Funktionen
- ANTIMICROBIAL
- InChI
- InChI=1S/C2HCl3O2.Na/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
- InChIKey
- SAQSTQBVENFSKT-UHFFFAOYSA-M
- SMILES
- C(Cl)(Cl)(Cl)C([O-])=O.[Na+]
- LogP
- -2.67 at · -2.67 at 25℃
- CAS Datenbank
- 650 · 650-51-1(CAS DataBase Reference)
- EPA chemische Informationen
- Sodium trichloroacetate (650-51-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P271, P273, P304+P340, P319, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Warning
H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P271, P273, P304+P340, P319, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Status: Active Update: 25-02-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/10489
Sodium trichloroacetate: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
A skin, eye, and respiratory tract irritant; [ICSC] A strong nose and throat irritant; [HSDB] A respiratory tract irritant; [eChemPortal: ESIS] An irritant; [MSDSonline] The ACGIH profile is for Trichloroacetic acid (76-03-9) and the sodium salt (650-51-1). See Trichloroacetic acid.
FIFRA Requirements
Tolerances for residues removed.
As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Sodium trichloroacetate is found on List D. Case No: 4089; Pesticide type: herbicide; Case Status: No products containing the pesticide are actively registered ... The case /is characterized/ as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.; Active ingredient (AI): Sodium trichloroacetate; AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."
Hazard Classes and Categories
STOT SE 3 (100%)
Specific target organ toxicity (single exposure) - category 3
Serious eye damage/eye irritation - Category 2B
STOT SE 3
Sicherheit und Schutzausrüstung
First Aid Measures
Fresh air, rest. Refer for medical attention.
Remove contaminated clothes. Rinse skin with plenty of water or shower.
First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.
Rinse mouth.
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Toxikologische Informationen
Interactions
... The effects of treatment of pregnant Long-Evans rats with combined aqueous solutions of dichloroacetic acid (DCA) at 0, 140, 1,400 and 1,900 mg/kg/day and trichloroacetic acid (TCA) at 0, 50, 500, 800 mg/kg/day. The study /utilized/ a segment II protocol with intubation on gestation days 6-15 (plug = 0). ... All fetuses were fixed in Bouin's soln for Wilson's sectioning. A factorial design was used with 15-30 rats randomized to each of sixteen dose combinations. Twenty-two of 280 dams died. ... There was evidence of a synergistic interaction for the percent change in dam body weight from gestation day 6-9 and an antagonistic interaction for the spleen and average kidney weight, the proportion of resorbtions, heart and total visceral malformations, and affected fetuses. The results from the nested analysis of variance indicated that a significant interaction exists between TCA and DCA for individual pup weights and crown to rump lengths. ...
Environmental Fate
TERRESTRIAL FATE: When released to moist soil, sodium trichloroacetate will dissociate to the trichloroacetate ion given a pKa of 0.64(1). It will then behave like trichloroacetate. Volatilization from dry soil surfaces is not expected as this compound is a salt and thus it will not partition to the atmosphere(SRC).
AQUATIC FATE: When released to water, sodium trichloroacetate will dissociate to the trichloroacetate ion given a pKa of 0.64(1).
ATMOSPHERIC FATE: Because sodium trichloroacetate is a salt, it will not partition to the atmosphere. (SRC)
Signs and Symptoms
Cough. Sore throat.
Redness. Pain.
Redness. Pain.
Soil Adsorption/Mobility
When released to moist soil, sodium trichloroacetate with a pKa of 0.64(1) will exist in the environment as the trichloroacetate ion. Sodium trichloroacetate has greater mobility in high pH soils than in more acidic soils; this is due to the ionic character of this compound(2).
Human Toxicity Excerpts
The sodium salt of TCA caused an occupational problem when it was used for 5.5 months each year to control grass and weeds in pavement in the tropics. The workers had been provided with good dermal protection but with no face shields, goggles, or masks. The eight members and one foreman of a spray team complained of coughing and/or pains in the chest, and some complained of sore throat and burning eyes. Many symptoms were worse at night. The foreman, who had been employed 2.5 years, had irritation of the trachea, and he was fatigued and short of breath at night. His eyes itched by day and even more so by night when they also burned. On windy days his eyes became markedly swollen.
It is established that sodium trichloroacetate does ... incr chromosome aberration frequency in the culture of human peripheral lymphocytes. ...
Environmental Bioconcentration
An estimated BCF value of 0 was calculated for sodium trichloroacetate(SRC), using a measured water solubility of 1.2X10+6 mg/l(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/Soil
When released to water or moist soil, sodium trichloroacetate will dissociate to the trichloroacetate ion given a pKa of 0.64(1). Volatilization from dry soil surfaces is not expected as this compound is a salt and thus will not partition to the atmosphere(SRC).
Non-Human Toxicity Excerpts
Wild geese are believed to have been killed after a clover field had been sprayed /with/ this cmpd.
A new approach to insect control using sodium trichloroacetate to inhibit synthesis of the hydrophobic cuticular lipids that protect from dehydration was tested on Triatoma infestans. In vivo and in vitro studies of the incorporation of radioactive precursors showed diminished cuticular hydrocarbon synthesis after /cmpd/ treatment. ...
A study was made of the incidence and types of adverse developmental sequelae induced in the offspring of pregnant Long-Evans rats exposed orally to trichloroacetic acid (TCA) in the form of sodium trichloroacetate. Animals were dosed by oral intubation on gestation days 6 through 15 with 0, 330, 800, 1200 or 1800 mg/kg/day. The vehicle control was distilled water. No maternal deaths occurred which were related to trichloroacetic acid /admin/. Weight gain during treatment was reduced at 800 and higher dose levels. Spleen and kidney weights were incr in a dose related manner. The mean percent of resorbed implants per litter was 34, 62, and 90 at 800, 1200 and l800 mg/kg, respectively. Live fetuses showed dose dependent reductions in weight and length. The mean frequency of soft tissue malformations ranged from 9% at the low dose to 97% at the high dose. These were principally in the cardiovascular system. Skeletal malformations were noted only at the 1200 and 1800 mg/kg dose levels and were mainly in the orbit. TCA was considered to be developmentally toxic in the pregnant rat at doses of 330 mg/kg and above.
It is established that sodium trichloroacetate does not induce chromosomal aberrations in bone marrow cells of mice, does not modify mutagenic effect induced by rubidomicin ... and in germs of Crepis tectorum and Allium cepa seeds.
For more Non-Human Toxicity Excerpts (Complete) data for SODIUM TRICHLOROACETATE (8 total), please visit the HSDB record page.
Regulatorische Informationen
FIFRA Requirements
Tolerances for residues removed.
As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Sodium trichloroacetate is found on List D. Case No: 4089; Pesticide type: herbicide; Case Status: No products containing the pesticide are actively registered ... The case /is characterized/ as "cancelled." Under FIFRA, pesticide producers may voluntarily cancel their registered products. EPA also may cancel pesticide registrations if registrants fail to pay required fees or make/meet certain reregistration commitments, or if EPA reaches findings of unreasonable adverse effects.; Active ingredient (AI): Sodium trichloroacetate; AI Status: The active ingredient is no longer contained in any registered pesticide products ... "cancelled."
Sicherheitsdaten
- wgk
- 2
- tsca
- TSCA listed
- ridadr
- UN 3077 9/PG 3
- hs_code
- 29154000
- RTECS-Nr.
- AJ9100000
- risk_code
- 37-50/53
- Toxizität
- LD50 orl-rat: 3320 mg/kg KSKZAN 18(3),46,80
- hazard_code
- Xi,N
- safety_code
- 46-60-61
- hazard_class
- 9
- packing_group
- III
- Speicherklasse
- 11 - Combustible Solids
- Giftige Stoffe Daten
- 650-51-1(Hazardous Substances Data)
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1STOT SE 3
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological Classification
Strong alkaline chemicals that destroy soft body tissues resulting in a deep, penetrating type of burn, in contrast to corrosives, that result in a more superficial type of damage via chemical means or inflammation. Caustics are usually hydroxides of light metals. SODIUM HYDROXIDE and potassium hydroxide are the most widely used caustic agents in industry. Medically, they have been used externally to remove diseased or dead tissues and destroy warts and small tumors. The accidental ingestion of products (household and industrial) containing caustic ingredients results in thousands of injuries per year.
Verwendung und Herstellung
Uses
Used as selective pre-emergence herbicide to control annual and perennial grasses in various food crops, cotton, and non-crop areas; as dyeing auxiliary; No longer registered with the EPA for use as pesticide in the US, cancelled; [HSDB]
Farming (Pesticides) [Category: Industry]
The active ingredient is no longer contained in any registered pesticide products ... "cancelled."
Selective systemic herbicide, used as a pre-emergence herbicide for control of many annual and perennial grasses (especially couch grass, wild oats, and volunteer cereals) in oilseed rape, sugar beet, fodder beet, asparagus, rhubarb, brassicas, carrots, potatoes, tomatoes, peas, field beans, lettuce, alfalfa, sunflowers, sugarcane, cotton, flax, rice, gladioli, and on non-crop areas.
Sodium trichloroacetate....is recommended as a polymerization catalyst for vinyl compounds. It is useful as a dyeing auxiliary. Improves absorption of disperse dye systems on polyester and cellulosic fibers. In diazo papers developed by heat, sodium trichloroacetate is used to liberate base at 100-200 °C.
Formulations/Preparations
Suspo-emulsion, water-dispersible granules, water-soluble powder
Mixtures: (TCA-Sodium +) atrazine; amitrole + atrazine; diquat dibromide + simazine; amitrol + 2,4-D + MCPA; amitrole + 2,4-D + sodium chlorate.
General Manufacturing Information
Acetic acid, 2,2,2-trichloro-, sodium salt (1:1): ACTIVE
For use as a crop protection agent, a minimum content of 95% sodium trichloroacetate is required.
Anwendungen
VerwendenSodium trichloroacetate, is used in acid binding reagent in the textile industry in the dying process. Sodium trichloroacetate has been reported previously to be an effective denaturation reagent for proteins was applied to poly(l-lysine) and poly(l-glutamic acid) to see its effects on a coil-to-helix transition and on the chemical reactivities of the ε-amino group of poly(l-lysine). Addition of sodium trichloroacetate to poly-(l-lysine) induced a helical conformation even at neutral pH where the ε-amino group of the polymer was protonated.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Anbieter100 Anbieter
Zugehörige Reaktionen
Notizen zur Verbindung
Wird geladen…