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HCID 18555Erstellt: 27. Oktober 2026

2,3-Dichloronitrobenzene

AI315074 · AI3-15074 · AI3 15074 · Benzene, dichloronitro-

https://huagongshe.com/de/chemical/18555

Molekülstruktur von 2,3-Dichloronitrobenzene

Identifikatoren & physikalische Daten

CAS No.27900-75-0
SummenformelC6H3Cl2NO2
Durchschnittliche Molmasse192 g/mol
Monoisotopische Masse190,9540837 g/mol
SMILESO=[N+]([O-])c1cccc(Cl)c1Cl
InChIKeyCMVQZRLQEOAYSW-UHFFFAOYSA-N
PubChem CID18555
ChEMBLCHEMBL168024
EC No.221-717-7
DTXSIDDTXSID8024997

Chemische & physikalische Eigenschaften

XLogP3
Polarare Oberfläche (TPSA)45,8
H-Brücken-Donoren0
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome11
Formalladung0
Komplexität159
StoffklassenNitrogen Compounds -> Nitros, Aromatic
SpringerMaterials PropertiesDensity
LogP (Verteilungskoeffizient)log Kow = 3.05
Dichte1.72 (NTP, 1992) - Denser than waterwill sink1.721 at 14 °C1.7 g/cm³
Color/FormMonoclinic needles from petroleum ether, acetic acidCrystallizes as yellow monoclinic needles.
Löslichkeitless than 0.1 mg/mL at 77 °F (NTP, 1992)Very soluble in organic solventssoluble in ethanol, ether, acetone, benzene, petroleum etherslightly soluble in chloroformIn water, 62.4 mg/L at 20 °C.Solubility in water: none
Flammpunkt255 °F (NTP, 1992)123 °C
Siedepunkt495 to 496 °F at 760 mmHg (NTP, 1992)257.5 °C257-258 °C
Schmelzpunkt142 to 144 °F (NTP, 1992)61.5 °C61 °C
DampfdichteRelative vapor density (air = 1): 6.6
Dampfdruck0.00505 [mmHg]Vapor pressure at 20 °C: negligible
Physical Description2,3-dichloronitrobenzene appears as light yellow crystals or yellow crystalline solid. (NTP, 1992)Other SolidColorless solid[ICSC] Light yellow solid[CHEMINFO] Light yellow powder[MSDSonline]COLOURLESS-TO-YELLOW CRYSTALS.

Sicherheit & Vorschriften

GHS-EinstufungDangerH301 (81.6%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P273, P301+P316, P301+P317, P319, P321, P330, P391, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard]P273, P391, and P501 (click each P-code to see the statement)
Regulatorische InformationenBenzene, 1,2-dichloro-3-nitro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzene, 1,2-dichloro-3-nitro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 20-08-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/1956
DOT-KennzeichnungClass 9
BrandgefahrenThis chemical is combustible. (NTP, 1992)Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
GesundheitsgefahrenACUTE/CHRONIC HAZARDS: This compound may cause irritation on contact. (NTP, 1992)
GefahrenübersichtA mutagen[RTECS] Emergency treatment: Nitrobenzene. [HSDB] No listed effects of short-term or long-term exposureInsufficient data are available on the effect of this substance on human health, therefore utmost care must be taken. [ICSC] An irritant[MSDSonline] See 3,4-Dichloronitrobenzene.
Reaktive GruppeNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
UN-EinstufungUN Hazard Class: 6.1UN Pack Group: II
Special ReportsOrganisation for Economic Cooperation and DevelopmentScreening Information Data Set for 2,3-dichloronitrobenzene, CAS # 3209-22-1 (1994). Available from the Database Query page at: http://www.chem.unep.ch/irptc/sids/OECDSIDS/sidspub.html as of June 26, 2007.
Reactivity ProfileCan react vigorously with oxidizing materials. (NTP, 1992)
Chemical DangersDecomposes on contact with hot surfaces or flames. This produces toxic and corrosive fumes of nitrogen oxides and hydrogen chloride (see ICSC 0163). Reacts with strong oxidants and bases.
Packaging and LabellingDo not transport with food and feedstuffs.
Air and Water ReactionsInsoluble in water.
BrandbekämpfungFires involving this compound should be controlled using a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)Use foam, dry powder, carbon dioxide.
Erste-Hilfe-MaßnahmenFresh air, rest.Rinse and then wash skin with water and soap.Rinse with plenty of water (remove contact lenses if easily possible).Rinse mouth.
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.
Sichere LagerungSeparated from bases, strong oxidants and food and feedstuffs.
Freisetung ohne BrandSMALL SPILLS AND LEAKAGE: Should a spill occur while you are handling this chemical, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with ethanol and transfer the dampened material to a suitable container. Use absorbent paper dampened with ethanol to pick up any remaining material. Seal the absorbent paper, and any of your clothes, which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with ethanol followed by washing with a 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: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air qualitypotential migration in soil or watereffects on animal, aquatic, and plant lifeand conformance with environmental and public health regulations.The following wastewater treatment technologies have been investigated for nitrobenzene: Activated carbon and stripping. /Nitrobenzene/Spillage Disposal: Sweep spilled substance into sealable containersif appropriate, moisten first to prevent dusting. Carefully collect remainder, then remove to safe place. Do NOT let this chemical enter the environment (extra personal protection: P3 filter respirator for toxic particles).
Verschüttetes entsorgenPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Sweep spilled substance into sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations. Do NOT let this chemical enter the environment.
Preventive MeasuresEyes: Safety spectacles, or eye protection in combination with breathing protection.
Isolation and EvacuationExcerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:
Eye PreventionWear safety spectacles.
Fire PreventionNO open flames. Prevent deposition of dust. Closed system, dust explosion-proof electrical equipment and lighting.
Inhalation RiskNo indication can be given about the rate at which a harmful concentration of this substance in the air is reached on evaporation at 20 °C.
ÖkotoxizitätswerteLC50Species: Daphnia magna (Water flea)Conditions: freshwater, staticConcentration: 4900 ug/L for 48 hrSpecies: Daphnia magna (Water flea, <24 hr old)Conditions: freshwater, static, 20 °C, pH 8.2, hardness 250 mg/L CaCO3, dissolved oxygen >6.5 mg/LConcentration: 4200 ug/L for 48 hr (95% confidence interval: 3200-5600 ug/L) />98% purity/Concentration: 3500 ug/L for 21 days (95% confidence interval: 3400-3600 ug/L) />98% purity/Species: Danio rerio (Zebra danio, <4 hr old)Conditions: freshwater, static, 25 °C, pH 8.2, hardness 250 mg/L CaCO3Concentration: 7500 ug/L for 7 days (95% confidence interval: 3200-32000 ug/L) />98% purity/For more Ecotoxicity Values (Complete) data for 2,3-DICHLORONITROBENZENE (6 total), please visit the HSDB record page.
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,100(SRC), determined from a log Kow of 3.05(2) and a regression-derived equation(3), indicates that 2,3-dichloronitrobenzene is expected to have low mobility in soil(SRC). Volatilization of 2,3-dichloronitrobenzene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.2X10-5 atm-cu m/mole(SRC), using a fragment constant estimation method(4). 2,3-Dichloronitrobenzene is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 5.0X10-3 mm Hg(SRC), determined from a fragment constant method(5). Biodegradation half-lives in excess of 4 weeks using activated sludge(6) suggest that biodegradation is not an important environmental fate process in soil(SRC).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,100(SRC), determined from a log Kow of 3.05(2) and a regression-derived equation(3), indicates that 2,3-dichloronitrobenzene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 1.2X10-5 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 42 hours and 17 days, respectively(SRC). According to a classification scheme(5), a BCF range of 82-151(6,7) suggests bioconcentration in aquatic organisms is moderate to high(SRC). Biodegradation half-lives in excess of 4 weeks using activated sludge(8) suggest that biodegradation is not an important environmental fate process in water(SRC).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,3-dichloronitrobenzene, which has an estimated vapor pressure of 5.9X10-3 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2,3-dichloronitrobenzene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 320 days(SRC), calculated from its rate constant of 5.0X10-14 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 2,3-Dichloronitrobenzene absorbs light at wavelengths of 310 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).
Unerwünschte WirkungenOccupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.
ExpositionspfadeThe substance can be absorbed into the body by ingestion.
Signs and SymptomsCough.Redness.
Effluent ConcentrationsIn an analysis of over 4000 industrial wastewater samples from 46 industrial categories, 2,3-dichloronitrobenzene was detected in only one sample (the sample was collected from the organic chemicals industry)(1)concn of the sample and origin of the sample were not reported(SRC).
ICSC Environmental DataEnvironmental effects from the substance have not been investigated adequately.
Soil Adsorption/MobilityThe Koc of 2,3-dichloronitrobenzene is estimated as 1,100(SRC), using a log Kow of 3,05(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,3-dichloronitrobenzene is expected to have low mobility in soil.
TSCA Test Submissions2,3-Dichloronitrobenzene (CAS# 3209-22-1) was evaluated for primary dermal irritation. The test substance was applied undiluted to the skin of 6 New Zealand albino rabbits at a dose level of 0.5 ml for 24-hours. Toxic effects included a slight defatting effect where the skin flaked off in 7-10 days. At 24 hours, severe erythema and edema was evident. Irritation gradually subsided and there was no injury in depth. The test substance was determined to be severe skin irritant.2,3-Dichloronitrobenzene (CAS# 3209-22-1) was evaluated for teratogenicity. The test substance was administered via gavage to 8 mated Sprague-Dawley rats at a dose level of 100 mg/kg/day for gestation days 6-12. Clinical signs included wet fur, red nasal and oral staining, and yellow urogenital staining. Maternal toxicity included reduced body weight and body weight gain. All dams survived and were pregnant with viable fetuses. A significant reduction in total hemoglobin and a five-fold increase in blood methemoglobin was noted. There were no treatment-related effects on fetal survival.
Fish/Seafood ConcentrationsA 2,3-dichloronitrobenzene concn of 0.024 ppm was detected in a composite sample of carp/sucker taken from the Mississippi River at St. Louis (collection date not reported)(1). Identified, not quantified in fish from the River Main in Germany(2). Zebra mussel (Dreissena polymorpha) and eel (Anguilla anguilla) collected from the Rhine and Meuse Rivers in Germany tested positive for chloronitrobenzenes (isomers not specified) at average concentrations up to 0.00009 and 0.0001 mmol/kg fat weight, respectively, sampling conducted in 1993 through 1994(3).
Artificial Pollution Sources2,3-Dichloronitrobenzene's former production and use as a chemical intermdiate(1) and production as a byproduct of the nitration of 1,2-dichlorobenzene(2) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAEROBIC: In biodegradability tests using both a semistatic (revised OECD test) and dynamic system (sole carbon source, activated sludge), the half-life of 2,3-dichloronitrobenzene was determined to be greatly in excess of 4 weeks using both adapted and non-adapted inoculum(1). However, since bacteria capable of degrading unspecified chloronitrobenzene isomers have been isolated, these compounds are not expected to be inherently recalcitrant(2).