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HCID 6576Erstellt: 4. November 2026

Dichloracetaldehyd

chloroaldehyde · Dichloroethanal · 2,2-Dichloroethanal · Dichloroacetaldehyd · DICHLOROACETALDEHYDE · 2,2-dichloroacetaldehyde · dichloro-2,2 acetaldehyde · 2,2-dichloro-acetaldehyde

https://huagongshe.com/de/chemical/6576

Molekülstruktur von Dichloracetaldehyd

Identifikatoren & physikalische Daten

CAS No.79-02-7
SummenformelC2H2Cl2O
Durchschnittliche Molmasse112,94 g/mol
Monoisotopische Masse111,94827004 g/mol
SMILESO=CC(Cl)Cl
InChIKeyNWQWQKUXRJYXFH-UHFFFAOYSA-N
PubChem CID6576
ChEBICHEBI:34214
EC No.201-169-5
DTXSIDDTXSID3021560
Lokaler NameDichloracetaldehyd

Chemische & physikalische Eigenschaften

XLogP1,1
Polarare Oberfläche (TPSA)17,1
H-Brücken-Donoren0
H-Brücken-Akzeptoren1
Frei drehbare Bindungen1
Schwere Atome5
Formalladung0
Komplexität34,6
StoffklassenOther Classes -> Aldehydes
SpringerMaterials PropertiesOptical coefficient
PestizideEnvironmental transformation -> Pesticide transformation products (metabolite, successor)
GeruchPENETRATING PUNGENT ODOR
Dichte1.436 at 77 °F (NTP, 1992) - Denser than waterwill sink1.436 @ 25 °CDensity: 1.4113 g/ cu cm @ 25 °C1.4330
Color/FormCOLORLESS LIQ
LöslichkeitSOL IN ALCSoluble in water and common organic solvents.
Flammpunkt140 °F (NTP, 1992)60 °C CC
Siedepunkt190 °F at 760 mmHg (NTP, 1992)89.2 °C90.55°C
DecompositionWhen heated to decomp it emits toxic fumes of /hydrogen chloride/.
Schmelzpunkt-58 °F (NTP, 1992)-37.6 to -37.4 °C-50.15°C
Dampfdichte3.9 (NTP, 1992) - Heavier than airwill sink (Relative to Air)
Brechungsindex1.4530 (estimate)
Henry-Konstante4.7×10-1 mol/(m3Pa) at 25℃, Wang et al. (2017)
CAS Datenbank79-02-7
EPA chemische InformationenDichloroacetaldehyde (79-02-7)

Sicherheit & Vorschriften

GHS-EinstufungThis chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.DangerH301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P284, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P318, P319, P320, P321, P330, P361+P364, P363, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische InformationenChemical: Acetaldehyde, dichloro-
DOT-KennzeichnungFlammable Liquid
BrandgefahrenThis compound is combustible. (NTP, 1992)
BrandpotenzialMODERATE FIRE HAZARDCombustible
GesundheitsgefahrenSYMPTOMS: Symptoms of exposure to this compound include local irritation of eyes, nose, and mucous membranes.
GefahrenübersichtA strong skin irritant[Hawley] Highly flammable and polymerizableAn eye, nose, and mucous membrane irritant[CAMEO]
Reaktive GruppeAldehydes
Special ReportsRamel C et alAn Evaluation of the Genetic Toxicity of DichlorvosMutat Res 76 (3): 297-309 (1980)
Reactivity AlertsHighly Flammable
Reactivity ProfileDICHLOROACETALDEHYDE polymerizes on standing or in the presence of acid. This compound reacts with acids, oxidizers. (NTP, 1992)
Air and Water ReactionsHighly flammable.
Hazard Classes and CategoriesAcute Tox. 3 (50%)
BrandbekämpfungThis compound is not very flammable but any fire involving this compound may produce dangerous vapors. You should evacuate the area. All firefighters should wear full-body protective clothing and use self-contained breathing apparatuses. You should extinguish any fires involving this chemical with a dry chemical, carbon dioxide, foam, or halon extinguisher. (NTP, 1992)
Erste HilfeEYES: 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.
BrandbekämpfungsverfahrenTo fight fire, use water, foam, carbon dioxide, dry chemical.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: If you spill this chemical, use absorbent paper to pick up all liquid spill material. Your contaminated clothing and absorbent paper should be sealed in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with alcohol followed by washing with a strong soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.
EntsorgungsverfahrenSRP: 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.
Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Personal Protective Equipment (PPE)MINIMUM PROTECTIVE CLOTHING: When working with this chemical, you should wear an impervious full-body suit equipped with an air line respirator or a self-contained breathing apparatus.
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 4.3(SRC), determined from a structure estimation method(2), indicates that dichloroacetaldehyde is expected to have very high mobility in soil(SRC). Volatilization of dichloroacetaldehyde from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 8.42X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of dichloroacetaldehyde from dry soil surfaces may exist(SRC) based upon its vapor pressure of 55.4 mm Hg(4).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 4.3(SRC), determined from a structure estimation method(2), indicates that dichloroacetaldehyde would not be expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 8.42X10-6 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Volatilization half-lives for a model river and model lake are 4.7 and 38 days, respectively(SRC), using an estimation method(3). According to a classification scheme(5), an estimated BCF of 3.2(3,SRC), from an estimated log Kow(6,SRC) suggests the potential for bioconcentration in aquatic organisms is low(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dichloroacetaldehyde, which has a vapor pressure of 55.4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dichloroacetaldehyde is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is 7.0 days(SRC) from its rate constant of 2.3X10-12 cu cm/molecule-sec(3).
Effluent ConcentrationsDichloroacetaldehyde is produced in pulp mill bleaching operations and has been identified in pulp mill effluents(1).
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc for dichloroacetaldehyde can be estimated to be 4.3(SRC). According to a classification scheme(2), this estimated Koc value suggests that dichloroacetaldehyde is expected to have very high mobility in soil.
Human Toxicity ExcerptsTOXIC BY INGESTION & INHALATION ...
Artificial Pollution SourcesIf chloroacetaldehydes are released during manufacture or use, they are probably released as air emissions and in discharged water. /Di- and tri-chloroacetaldehydes/Dichloroacetaldehyde's production and use as a chemical intermediate(1) and its formation during the pulp bleaching process(2) may result in its release to the environment through various waste streams(SRC).
Environmental BioconcentrationAn estimated BCF of 3.2 was calculated for dichloroacetaldehyde(SRC), using an estimated log Kow of 0.27(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low.
Volatilization from Water/SoilThe Henry's Law constant for dichloroacetaldehyde is estimated as 8.42X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dichloroacetaldehyde is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 4.7 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 38 days(SRC). Dichloroacetaldehyde's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dichloroacetaldehyde from dry soil surfaces may exist(SRC) based upon its vapor pressure of 55.4 mm Hg at 25 °C(3).
Non-Human Toxicity ExcerptsDICHLOROACETALDEHYDE, A PRESUMED METABOLITE OF DICHLORVOS & TRICHLORFON, IS MUTAGENIC IN SALMONELLA/MICROSOME TEST. ITS MUTAGENIC POTENCY IS HIGHER THAN DICHLORVOS. THE BACTERIAL MUTAGENICITY TEST MAY ONLY (OR MAINLY) DETECT EFFECT OF METHYLATION BY DICHLORVOS.DICHLOROACETALDEHYDE SHOWS IN DOMINANT LETHAL TEST IN MICE AT EQUIMOLAR DOSAGE (1.6 MMOL/KG) A MUTAGENIC ACTIVITY COMPARABLE WITH THAT OF TRICHLORFON. IT CANNOT BE RULED OUT THAT THE GENETIC EFFECTS OF THIS PESTICIDE MAY BE DUE TO ACTION OF ITS DEGRADATION PRODUCTS.2,2-DICHLOROACETALDEHYDE WAS WEAKLY MUTAGENIC IN SALMONELLA TYPHIMURIUM TA100 WITH OR WITHOUT S-9 MIX.Dichloroacetaldehyde was negative for unscheduled DNA synthesis in human epithelial-like cells whereas both dichlorvos and trichlorfon showed a dose-response effect.
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of dichloroacetaldehyde with photochemically-produced hydroxyl radicals is 2.3X10+12 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of 7.0 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(SRC). Dichloroacetaldehyde contains an alkyl chloride group which is potentially hydrolyzable(2). No information is available on its hydrolysis rate. Dichloroacetaldehyde is not expected to directly photolyze due to the lack of absorption in the environmental UV spectrum.
Probable Routes of Human ExposureDichloroacetaldehyde is toxic by ingestion or inhalation.
Environmental Fate/Exposure SummaryDichloroacetaldehyde's production and use as a chemical intermediate and its formation during the pulp bleaching process may result in its release to the environment through various waste streams. If released to air, a vapor pressure of 55.4 mm Hg at 25 °C indicates dichloroacetaldehyde will exist solely as a vapor in the ambient atmosphere. Vapor-phase dichloroacetaldehyde will be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicalsthe half-life for this reaction in air is 7.0 days. If released to soil, dichloroacetaldehyde is expected to have very high mobility based upon an estimated Koc of 4.3. Volatilization from moist soil surfaces is expected to be an important fate process based upon an estimated Henry's Law constant of 8.42X10-6 atm-cu m/mole. Dichloroacetaldehyde may potentially volatilize from dry soil surfaces based upon its estimated vapor pressure of 59 mm Hg at 25 °C. If released into water, dichloroacetaldehyde is not expected to adsorb to suspended solids and sediment in the water column based upon its estimated Koc. Volatilization from water surfaces is expected to be an important fate process based upon this compound's estimated Henry's Law constant. Estimated volatilization half-lives for a model river and model lake are 4.7 days and 38 days, respectively. An estimated BCF of 3.2 suggests that the potential for bioconcentration in aquatic organisms is low. Occupational exposure to dichloroacetaldehyde may occur through inhalation and dermal contact with this compound at workplaces where dichloroacetaldehyde is produced or used. (SRC)
TSCA-Inventar-StatusTSCA listed
UN-Transportnummer1992
Gefahrenklasse3.2
VerpackungsgruppeIII
Gefahrstoffdaten79-02-7(Hazardous Substances Data)