1,1,1,2-Tetrachloroethane

HCID 12418CAS 23425-39-0

Grundinformationen

Standard-SMILES
ClCC(Cl)(Cl)Cl
InChIKey
QVLAWKAXOMEXPM-UHFFFAOYSA-N
Summenformel
C2H2Cl4
Durchschnittliche Molmasse
167,8 g/mol
Monoisotopische Masse
165,89106078

Überblick

1,1,1,2-Tetrachloroethane can cause cancer according to California Labor Code and the World Health Organization's International Agency for Research on Cancer (IARC).

Namen und Bezeichner

Bevorzugter Name
1,1,1,2-Tetrachloroethane
IUPAC
1,1,1,2-tetrachloroethane

Namen und Synonyme

1,1,1,2-TETRACHLOROETHANE630-20-6Ethane, 1,1,1,2-tetrachloro-RCRA waste number U2081,1,1,2-TetrachlorethaneNCI-C52459DTXSID20213170S5MKE574X(CHLOROMETHYL)TRICHLOROMETHANEDTXCID801317HCC 130ACHEBI:34024
Weitere Namen anzeigen
F 130ARefChem:906562211-135-1MFCD0000080725322-20-7RCRA waste no. U208CCRIS 577Tetrachloroethane, 1,1,1,2-

Datenbank-Bezeichner

CAS
23425-39-0、25322-20-7、630-20-6
PubChem CID
12418
DTXSID
DTXSID2021317
ChEMBL
CHEMBL155816
ChEBI
CHEBI:34024
UNII
0S5MKE574X
EC Number
211-135-1
Nikkaji
J3.311A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,7
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
6

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Carcinogens

Volatile Organic Compound (VOC)

Solvents · 2 Einträge

Solvents -> Chlorinated Aliphatics

Solvents -> Chlorinated Aliphatics

SpringerMaterials PropertiesBoiling point
PesticidesPesticide -> EPA IRIS
LogP · 2 Einträge

log Kow = 2.39

2.66

Density · 5 Einträge

1.5406 at 68 °F (NTP, 1992) - Denser than water; will sink

1.5406 g/cu cm at 20 °C

Relative density (water = 1): 1.54

1.5406 @ 20°C

1.54

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 6 Einträge

This chemical does not meet GHS hazard criteria for 21.4% (3 of 14) of reports.

Danger

H302 (78.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P203, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P318, P321, P330, P337+P317, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Ethane, 1,1,1,2-tetrachloro-

Chemical: Ethane, tetrachloro-

Hazard Traits - Carcinogenicity; Neurotoxicity

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Other Safety Information · 2 Einträge

IMAP assessments - Ethane, 1,1,1,2-tetrachloro-: Human health tier II assessment

IMAP assessments - Ethane, tetrachloro-: Environment tier I assessment

DOT LabelPoison
Fire Hazards · 2 Einträge

Literature sources indicate that this chemical is nonflammable. (NTP, 1992)

Combustible under specific conditions. Gives off irritating or toxic fumes (or gases) in a fire.

Fire PotentialIt is non combustible.
Health HazardsExcerpt from NIOSH Pocket Guide for 1,1,1,2-Tetrachloroethane:

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992)

In case of fire in the surroundings, use appropriate extinguishing media. In case of fire: keep drums, etc., cool by spraying with water.

First Aid Measures · 4 Einträge

Fresh air, rest.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Do NOT induce vomiting. Refer for medical attention . Give one or two glasses of water to drink.

First Aid · 2 Einträge

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

(General first aid procedures)

Safe StorageSeparated from strong oxidants and strong bases. Well closed.
Fire Fighting Procedures · 3 Einträge

If material involved in fire: Extinguish fire using agent suitable for type of surrounding fire. (Material itself does not burn or burns with difficulty.) Use water in flooding quantities as fog. Use foam, dry chemical, or carbon dioxide. Apply water from as far a distance as possible. Keep run-off water out of sewers and water sources. /Tetrachloroethane/

Use dry chemical, carbon dioxide, or alcohol foam extinguishers. From a secure, explosion-proof location, use water spray to cool exposed containers. If cooling streams are ineffective (venting sound increases in volume and pitch, tank discolors, or shows any signs of deforming), withdraw immediately to a secure position.

If material involved in fire: Extinguish fire using agent suitable for type of surrounding fire (Material itself does not burn or burns with difficulty.). Use water in flooding quantities as fog. Use foam, dry chemical, or carbon monoxide. Apply water from as far a distance as possible. Keep run-off water out of sewers and water sources.

Storage Conditions · 3 Einträge

Store in tightly closed containers in a cool, well-ventilated area away from potassium; sodium; dinitrogen tetraoxide; potassium hydroxide; nitrogen tetraoxide; sodium potassium alloy; 2,4-dinitrophenyl disulfide. Metal containers involving the transfer of 5 gallons or more of this chemical should be grounded and bonded.

Before being stored or transported over longer periods of time, chlorinated ethanes ... should be carefully analyzed for water, free acid, and stabilizers because decomposition may lead to excessive corrosion. ... Chlorinated ethanes should not be brought into contact with tanks, containers, valves, etc made of aluminum. /Chloroethanes/

Before being stored or transported over longer periods of time, chlorinated ethanes ... should be carefully analyzed for water, free acid, and stabilizers because decomposition may lead to excessive corrosion. ... Chlorinated ethanes should not be brought into contact with tanks, containers, valves, etc made of aluminum. /Chloroethanes/

Toxikologische Informationen

Cancer SitesHepatic
Target Organs · 2 Einträge

Hepatic

Eyes, skin, central nervous system, liver

Ecotoxicity Values · 6 Einträge

LC50; Species: Lepomis macrochirus (Bluegill, weight 0.32-1.2 g); Conditions: freshwater, static, 21-23 °C, pH 6.5-7.9, hardness 32-48 mg/L CaCO3, alkalinity 28-34 mg/L CaCO3, conductivity 93-190 umhos/cm, dissolved oxygen 0.3-9.7 mg/L; Concentration: 20 mg/L for 24 hr /> or =80% purity/

LC50; Species: Lepomis macrochirus (Bluegill, weight 0.32-1.2 g); Conditions: freshwater, static, 21-23 °C, pH 6.5-7.9, hardness 32-48 mg/L CaCO3, alkalinity 28-34 mg/L CaCO3, conductivity 93-190 umhos/cm, dissolved oxygen 0.3-9.7 mg/L; Concentration: 20 mg/L for 96 hr (16-24 mg/L) /> or =80% purity/

LC50; Species: Daphnia magna (Water flea, age <24 hr); Conditions: freshwater, static, 22 °C, pH 8.0 (7.4-9.4), hardness 173 mg/L CaCO3, dissolved oxygen >60%; Concentration: 27000 ug/L for 24 hr (22000-35000 ug/L) />80% purity/

LC50; Species: Daphnia magna (Water flea, age <24 hr); Conditions: freshwater, static, 22 °C, pH 8.0 (7.4-9.4), hardness 173 mg/L CaCO3, dissolved oxygen 6.5-9.1 mg/L; Concentration: 24000 ug/L for 48 hr (17000-30000 ug/L) />80% purity/

LC50; Species: Oryzias latipes (Medaka, high-eyes); Conditions: freshwater, static, 30 °C; Concentration: 39000 ug/L for 24 hr

LC50; Species: Oryzias latipes (Medaka, high-eyes); Conditions: freshwater, static, 20 °C; Concentration: 44000 ug/L for 24 hr

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), a Koc value of 399(2) indicates that 1,1,1,2-tetrachloroethane is expected to have moderate mobility in soil(SRC). Volatilization of 1,1,1,2-tetrachloroethane from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 2.50X10-3 atm-cu m/mole(3). 1,1,1,2-Tetrachloroethane is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 12.0 mm Hg(4). Biodegradation data are not available for 1,1,1,2-tetrachloroethane(SRC, 2008); however, biodegradation data for the isomer 1,1,2,2-tetrachloroethane indicate that degradation will be slow under aerobic conditions, but may proceed under anaerobic conditions(5).

AQUATIC FATE: Based on a classification scheme(1), a Koc value of 399(2) indicates that 1,1,1,2-tetrachloroethane is expected to adsorb very little to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 2.50X10-3 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 4.2 hours and 5.3 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 12(SRC), from a water solubility of 1.07X10+3 mg/L at 25 °C(6) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Hydrolysis of 1,1,1,2-tetrachloroethane is expected to be slow under environmental conditions based on reported half-lives of 46.8 and 350 years at 25 °C and pH 7(7,8). Biodegradation data are not available for 1,1,1,2-tetrachloroethane(SRC, 2008); however, biodegradation data for the isomer 1,1,2,2-tetrachloroethane indicate that degradation will be slow under aerobic conditions, but may proceed under anaerobic conditions(9).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1,1,1,2-tetrachloroethane, which has a vapor pressure of 12.0 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1,1,1,2-tetrachloroethane is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is calculated to be 891 days(SRC), based on a rate constant of 1.80X10-14 cu cm/molecule-sec at 25 °C(3). 1,1,1,2-Tetrachloroethane does not contain chromophores that absorb at wavelengths >290 nm(4) and therefore is not expected to be susceptible to direct photolysis by sunlight(SRC).

Food Survey Values1,1,1,2-Tetrachloroethane was detected in one out of 234 table-ready food items tested during the U.S. Food and Drug Administration's Total Diet Study(1). Cheddar cheese contained 1,1,1,2-tetrachloroethane at a concentration of 53.0 ppb(1).
Adverse Effects · 2 Einträge

Neurotoxin - Acute solvent syndrome

Neurotoxin - Acute solvent syndrome

Regulatorische Informationen

RCRA Requirements · 1 Eintrag

U208; As stipulated in 40 CFR 261.33, when 1,1,1,2-Tetrachloroethane, as a commercial chemical product or manufacturing chemical intermediate or an off-specification commercial chemical product or a manufacturing chemical intermediate, becomes a waste, it must be managed according to Federal and/or State hazardous waste regulations. Also defined as a hazardous waste is any residue, contaminated soil, water, or other debris resulting from the cleanup of a spill, into water or on dry land, of this waste. Generators of small quantities of this waste may qualify for partial exclusion from hazardous waste regulations (40 CFR 261.5).

TSCA Requirements · 1 Eintrag

Pursuant to section 8(d) of TSCA, EPA promulagated a model Health and Safety Data Reporting Rule. The section 8(d) model rule requires manufacturers, importers, and processors of listed chemical substances and mixtures to submit to EPA copies and lists of unpublished health and safety studies. 1,1,1,2-tetrachloroethane is included on this list. Effective date 6/1/87; Sunset date 12/19/95.

CERCLA Reportable Quantities · 1 Eintrag

Persons in charge of vessels or facilities are required to notify the National Response Center (NRC) immediately, when there is a release of this designated hazardous substance, in an amount equal to or greater than its reportable quantity of 100 lb or 45.4 kg. The toll free number of the NRC is (800) 424-8802. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).

Clean Water Act Requirements · 2 Einträge

Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Chlorinated ethanes/

Toxic pollutant designated pursuant to section 307(a)(1) of the Federal Water Pollution Control Act and is subject to effluent limitations. /Chlorinated ethanes/

State Drinking Water Guidelines · 4 Einträge

(CT) CONNECTICUT 21 ug/l

(FL) FLORIDA 1 ug/l

(ME) MAINE 13 ug/l

(MN) MINNESOTA 70 ug/l

Federal Drinking Water GuidelinesEPA 70 ug/l

Chemie und Industrie

Pharmakologische Informationen

Mechanism of ActionINDUCTION HEPATOCARCINOGENESIS PRIMARILY THROUGH A PROMOTING MECHANISM.
Metabolism/Metabolites · 5 Einträge

... /1,1,1,2-TETRACHLOROETHANE WAS/ METAB ... TO GIVE FIRST DICHLOROACETIC ACID AND THEN GLYOXYLIC ACID. WITH PART OF TETRACHLOROETHANE, NONENZYMIC DEHYDROCHLORINATION OCCURS, WITH FORMATION OF TRICHLOROETHYLENE, WHICH IS ALSO FOUND IN BREATH.

1,1,1,2-TETRACHLOROETHANE WAS SC INJECTED INTO MICE & EXCRETION WAS FOLLOWED FOR 3 DAYS. THE PART METABOLIZED WAS EXCRETED MAINLY AS 2,2,2-TRICHLOROETHANOL (17-49% OF DOSE) & TO LESSER EXTENT AS TRICHLOROACETIC ACID.

IN RATS, GUINEA PIGS & RABBITS, 1,1,1,2-TETRACHLOROETHANE UNDERWENT DEHALOGENATION BY PRODUCING TRICHLOROETHANOL WHICH IS ELIMINATED PRINCIPALLY IN URINE IN FORM OF CONJUGATED GLUCURONIC DERIVATIVE (UROCHLORALIC ACID). OXIDN TO TRICHLOROACETIC ACID IS CONSIDERABLE ONLY IN RATS.

1,1,1,2-TETRACHLOROETHANE, WHEN ADMIN FOR 8 HR AS VAPOR @ 200 PPM TO RATS & MICE, PRODUCED THE FUJIWARA REACTION-POSITIVE URINARY METABOLITES TRICHLOROACETIC ACID, TRICHLOROETHANOL, & TOTAL TRICHLORO CMPD.

For more Metabolism/Metabolites (Complete) data for 1,1,1,2-TETRACHLOROETHANE (9 total), please visit the HSDB record page.

Absorption, Distribution and Excretion · 4 Einträge

WHEN ADMIN SC TO MICE, HALF OF DOSE OF 1,1,1,2-TETRACHLOROETHANE WAS EXHALED UNCHANGED, & PART METABOLIZED WAS EXCRETED MAINLY AS TRICHLOROETHANOL & TO MINOR EXTENT AS TRICHLOROACETIC ACID.

INHALATION OR INGESTION OF 1,1,1,2-TETRACHLOROETHANE BY PREGNANT RATS & RABBITS RESULTED IN PRESENCE OF HIGH LEVELS OF CHEM IN FETUSES, INDICATING TRANS-PLACENTAL PASSAGE.

It can be absorbed through inhalation, ingestion, skin and/or eye contact.

Twelve employees and 29 neighbors of nine dry cleaning shops that used either activated charcoal filters or closed systems were compared with 20 unexposed referents. Both blood and urine samples were collected; tetrachloroethane in blood and trichloroacetic acid in urine were detected using capillary gas chromatography and the head space method. In the referent group, blood tetrachloroethane levels were below the detection limit (16.5 ug/L) and the maximum urinary trichloroacetic acid was 57 ug/L. Blood trichloroacetic acid levels in the dry cleaning employees ranged from 204 ug/L to 3100 ug/L; 42% had levels greater than 1000 ug/L. 94% of neighbors had tetrachloroethane levels less than 100 ug/L and 6% had levels of 1000 ug/L or more. The mean urinary trichloroacetic acid concentrations were 682 ug/L in the workers and 105 ug/l for the neighbors. Neighbors living on the first floor above a dry cleaning store or in buildings with wooden ceilings had higher average tetrachloroethane blood levels than those living on the second floor or in buildings with concrete ceilings. The method of dry cleaning had no effect on tetrachloroethane blood concentrations. /Results suggest/ that workers and neighbors of dry cleaning stores have increased exposure to tetrachloroethane and trichloroacetic acid.

Verwendung und Herstellung

Uses · 6 Einträge

Used to make other organic chemicals; [ATSDR ToxFAQs] Used as a solvent; [HSDB]

Commercial production has ceased in the U.S. It is still used as a chemical intermediate to synthesize organic chemicals. [ATSDR ToxFAQs]

Metal Degreasing [Category: Clean]

Used as a solvent, insecticide, and in paint removers; [CAMEO] Isomers are used to make other chlorinated organic compounds; [HSDB]

Painting (Solvents) [Category: Paint]

AS SOLVENT; MFR OF INSECTICIDES, HERBICIDES, SOIL FUMIGANTS, BLEACHES, PAINTS & VARNISHES

U.S. Exports · 3 Einträge

(1978) No Data

(1982) No Data

(1987) No Data

U.S. Imports · 3 Einträge

(1978) No Data

(1982) No Data

(1987) No Data

U.S. Production · 6 Einträge

(1978) No Data

(1982) NOT PRODUCED COMMERCIALLY IN USA

(1992) No Data

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#4831]

1,1,1,2-Tetrachloroethane is listed as a High Production Volume (HPV) chemical (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

NO DATA (1992)

Consumption PatternsThe only significant use of 1,1,2,2-tetrachloroethane is as a feedstock in the manufacture of trichloroethylene, tetrachloroethylene and 1,2- dichloroethylene /1,1,2,2-tetrachloroethane/
Methods of Manufacturing · 3 Einträge

1,1,1,2-Tetrachloroethane is not produced on an industrial scale. It is an undesired byproduct mainly from the production of 1,1,1-trichloroethane from 1,1-dichloroethane, 1,1,2-trichloroethane and 1,1,2,2-tetrachloroethane from 1,2-dichloroethane. ... It can be prepared in highly purified form by isomerization of 1,12,2-tetrachloroethane or by chlorination of 1,1-dichloroethylene at approximately 40 °C in the liquid phase. Aluminum chloride is used in both reactions as a Lewis catalyst.

Produced by direct chlorination or oxychlorination utilizing ethylene as feedstock...in most cases, 1,1,2,2-tetrachloroethane is not isolated, but immediately thermally cracked at 454 °C to give the desired trichloroethylene and tetrachloroethylene products...high purity 1,1,2,2- tetrachloroethane is made by chlorinating acetylene /1,1,2,2- tetrachloroethane/

1,1,1,2-Tetrachloroethane is not produced on an industrial scale...it is an undesired byproduct mainly from the production of 1,1,1-trichloroethane from 1,1-dichloroethane, 1,1,2-trichloroethane and 1,1,2,2-tetrachloroethane from 1,2-dichloroethane /1,1,1,2-tetrachloroethane/

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