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HCID 9257Erstellt: 27. Oktober 2026

1,2,4-Triazol

TRIAZOLE · 1H-1,2,4-TRIAZOLE · 4H-1,2,4-triazole · 1,2,4-1H-TRIAZOLE · 1,2,4-Triazol · PYRRODIAZOLE · TA-4 · TRIAZOLE(1,2,4-)

https://huagongshe.com/de/chemical/9257

Molekülstruktur von 1,2,4-Triazol

Identifikatoren & physikalische Daten

CAS No.288-88-0
SummenformelC2H3N3
Durchschnittliche Molmasse69,07 g/mol
Monoisotopische Masse69,03269711 g/mol
SMILESc1nc[nH]n1
InChIKeyNSPMIYGKQJPBQR-UHFFFAOYSA-N
PubChem CID9257
ChEMBLCHEMBL15571
ChEBICHEBI:35550
EC No.206-022-9
DTXSIDDTXSID6027131
Lokaler Name1,2,4-Triazol

Chemische & physikalische Eigenschaften

XLogP-0,6
Polarare Oberfläche (TPSA)41,6
H-Brücken-Donoren1
H-Brücken-Akzeptoren2
Frei drehbare Bindungen0
Schwere Atome5
Formalladung0
Komplexität28
LogP (Verteilungskoeffizient)log Kow = -0.58-0.6
Dichte640 kg/m³1.15 g/cm3 (130℃)
Color/FormNeedles from benzene/ethanol
LöslichkeitSoluble in water, ethanolSolubility in water, g/100ml at 20 °C: 125547g/l1250 g/L (20 ºC)
Flammpunkt170 °C closed cup170 °C c.c.140 °C
Siedepunkt260 °C (decomposes)260 °C (lit.)
DecompositionWhen heated to decomposition it emits toxic vapors of /nitroxides/.The substance decomposes on heating producing toxic fumes including nitrogen oxides, ammonia fumes and hydrogen cyanide.290 °C
Schmelzpunkt120-121 °C119-121 °C (lit.)
Dampfdruck0.6 [mmHg]Vapor pressure, Pa at 20 °C: 0.20.215Pa at 20℃
Physical DescriptionOther SolidLarge CrystalsBrown solid[ICSC] White crystalline powder[MSDSonline]BROWN SOLID IN VARIOUS FORMS WITH CHARACTERISTIC ODOUR.
Kovats Retention Index1116
Collision Cross Section107.7 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID6027131]
Brechungsindex1.4854 (estimate)
LagerbedingungenStore below +30°C.
AggregatzustandCrystalline Powder and Flakes
pKa (Säurekonstante)2.27(at 20℃)
FarbeWhite
pH8 (10g/l, H2O, 20℃)
Merck14,9605
BRN104767
Henry-Konstante6.6×100 mol/(m3Pa) at 25℃, HSDB (2015)
InChI1S/C2H3N3/c1-3-2-5-4-1/h1-2H,(H,3,4,5)
InChIKeyNSPMIYGKQJPBQR-UHFFFAOYSA-N
SMILESc1nc[nH]n1
LogP (Verteilungskoeffizient)-0.76 at 25℃
CAS Datenbank288-88-0(CAS DataBase Reference)
NIST chemische Informationen1H-1,2,4-Triazole(288-88-0)
EPA chemische Informationen1,2,4-Triazole (288-88-0)

Sicherheit & Vorschriften

GHS-EinstufungDangerH302: Harmful if swallowed [Warning Acute toxicity, oral]H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]H360FD: May damage fertilityMay damage the unborn child [Danger Reproductive toxicity]P203, P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P318, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
Regulatorische InformationenChemical: 1H-1,2,4-TriazoleHazard Traits - Reproductive ToxicityAuthoritative List - EC Annex VI CMRs - Cat. 1BReport - if used as a fragrance or flavor ingredientRegulation (EC) No 1107/2009 (amended)1H-1,2,4-Triazole is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-1,2,4-Triazole 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)1,2,4-Triazole is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)Status: Active Update: 26-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13353
Weitere SicherheitsinformationenIMAP assessments - 1H-1,2,4-Triazole: Human health tier II assessment
BrandgefahrenCombustible. Gives off irritating or toxic fumes (or gases) in a fire. Finely dispersed particles form explosive mixtures in air.
BrandpotenzialCombustible
GefahrenübersichtAn eye irritantCan be absorbed through skinAnimal tests show that this substance possibly causes toxicity to human reproduction or development. [ICSC] An eye irritant[eChemPortal: ERMAESIS] An irritant[MSDSonline]
EG-EinstufungSymbol: XnR: 22-36-63S: (2)-36/37
Special Reports

Anwendungen & Verwendung

Verwenden

1,2,4-Triazole is present in a large variety of fungicides as C14-demethylase-inhibitors. In addition they are used in synthetic chemical reactions such as the design and preparation of ghrelin receptor ligand antagonists, like JMV 2959.

European Commission, ESISIUCLID Dataset, 1,2,4-Triazole (288-88-0) (2000 CD-ROM edition) contains information on use, toxicology, and environmental effects of this chemical as supplied to the European Union by industry.[Available from, as of September 23, 2010: http://esis.jrc.ec.europa.eu/]
Chemical DangersMay explode on heating. Decomposes on heating. This produces toxic fumes including nitrogen oxides, ammonia and hydrogen cyanide. Reacts with strong acids and strong oxidants.
Physical DangersDust explosion possible if in powder or granular form, mixed with air.
Toxic Combustion ProductsGives off irritating or toxic fumes (or gases) in a fire.
Hazard Classes and CategoriesAcute Tox. 4 (100%)Eye Irrit. 2 (99.8%)Repr. 1B (46.9%)Repr. 2 (42.3%)Repr. 2 (10.4%)Aquatic Chronic 3 (10.6%)Acute toxicity - category 4Eye irritation - category 2Reproductive toxicity - category 1BHazardous to the aquatic environment (Acute) - Category 3Hazardous to the aquatic environment (Long-term) - Category 3Acute toxicity (Oral) - Category 4Acute toxicity (Dermal) - Category 5Serious eye damage/eye irritation - Category 2Reproductive toxicity - Category 2
Explosive Limits and PotentialFinely dispersed particles form explosive mixtures in air.May explode on heating.
BrandbekämpfungUse water spray, powder, foam, carbon dioxide.
Erste-Hilfe-MaßnahmenFresh air, rest.Remove contaminated clothes. 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. Give one or two glasses of water to drink. Refer for medical attention .
Sichere LagerungSeparated from strong oxidants and strong acids. Store in an area without drain or sewer access.
BrandbekämpfungsverfahrenSuitable extinguishing media: Use water spray, alcohol-resistant foam, dry chemical or carbon dioxide. Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary.Powder, water spray, foam, carbon dioxide.
LagerbedingungenKeep container tightly closed in a dry and well-ventilated place.Separated from strong oxidants, and strong acids. Store in an area without drain or sewer access.
ReinigungsverfahrenAccidental Release Measures. Personal precautions: Use personal protective equipment. Avoid dust formation. Avoid breathing dust. Ensure adequate ventilation. Environmental precautions: Do not let product enter drains. Methods for cleaning up: Pick up and arrange disposal without creating dust. Keep in suitable, closed containers for disposal.Do NOT let this chemical enter the environment. Sweep spilled substance into sealable containersif appropriate, moisten first to prevent dusting. Carefully collect remainder, then remove to safe place.
EntsorgungsverfahrenSRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity 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 and plant lifeand conformance with environmental and public health regulations.Observe all federal, state, and local environmental regulations. Contact a licensed professional waste disposal service to dispose of this material.
Verschüttetes entsorgenPersonal protection: particulate filter respirator adapted to the airborne concentration of the substance. Do NOT let this chemical enter the environment. Sweep spilled substance into covered sealable containers. If appropriate, moisten first to prevent dusting. Carefully collect remainder. Then store and dispose of according to local regulations.
Preventive MeasuresSRP: The scientific literature for the use of contact lenses by industrial workers is inconsistent. The benefits or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.Handle with gloves. Choose body protection according to the amount and concentration of the dangerous substance at the work place.Handle in accordance with good industrial hygiene and safety practice. Wash hands before breaks and at the end of workday.If inhaled, move person into fresh air. If not breathing give artificial respiration Consult a physician. In case of skin contact, wash off with soap and plenty of water. Consult a physician. In case of eye contact, rinse thoroughly with plenty of water for at least 15 minutes and consult a physician. If swallowed, never give anything by mouth to an unconscious person. Rinse mouth with water. Consult a physician.Prevent deposition of dustclosed system, dust explosion-proof electrical equipment and lighting.
Eye PreventionWear safety goggles.
Fire PreventionNO open flames. Closed system, dust explosion-proof electrical equipment and lighting. Prevent deposition of dust.
Inhalation RiskA harmful concentration of airborne particles can be reached quickly when dispersed.
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5(SRC), determined from a structure estimation method(2), indicates that 1H-1,2,4-triazole is expected to have very high mobility in soil(SRC). Volatilization of 1H-1,2,4-triazole from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.5X10-6 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 1H-1,2,4-Triazole is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.6 mm Hg at 25 °C(SRC), determined from a fragment constant method(4). Biodegradation data in soil were not available(SRC, 2010).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5(SRC), determined from a structure estimation method(2), indicates that 1H-1,2,4-triazole is not 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 1.5X10-6 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 20 and 150 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its log Kow of -0.58(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low(SRC). 1H-1,2,4-Triazole is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Biodegradation data in water were not available(SRC, 2010).ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1H-1,2,4-triazole, which has an estimated vapor pressure of 0.6 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 1H-1,2,4-triazole 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 160 days(SRC), calculated from its rate constant of 1.0X10-13 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 1H-1,2,4-Triazole contains chromophores that absorb at wavelengths >290 nm(4) and therefore may be susceptible to direct photolysis by sunlight(SRC).
Unerwünschte WirkungenReproductive Toxin - A chemical that is toxic to the reproductive system, including defects in the progeny and injury to male or female reproductive function. Reproductive toxicity includes developmental effects. See Guidelines for Reproductive Toxicity Risk Assessment.
ExpositionspfadeThe substance can be absorbed into the body in hazardous amounts by ingestion. The substance can be absorbed into the body by inhalation and through the skin.
Signs and SymptomsRedness. Pain.
ICSC Environmental DataThe substance is harmful to aquatic organisms. This substance does enter the environment under normal use. Great care, however, should be taken to avoid any additional release, for example through inappropriate disposal.
Soil Adsorption/MobilityUsing a structure estimation method based on molecular connectivity indices(1), the Koc of 1H-1,2,4-triazole can be estimated to be 5(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1H-1,2,4-triazole is expected to have very high mobility in soil.
Human Toxicity Excerpts/SIGNS AND SYMPTOMS/ May be harmful if inhaled. Causes respiratory tract irritation. May be harmful if absorbed through skin. Causes skin irritation. Causes eye irritation. Harmful if swallowed./SIGNS AND SYMPTOMS/ Effects of short-term exposure: The substance is irritating to the eyes.
Artificial Pollution Sources1H-1,2,4-Triazole's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams(SRC).
Environmental BioconcentrationAn estimated BCF of 3 was calculated in fish for 1H-1,2,4-triazole(SRC), using a log Kow of -0.58(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC).
Volatilization from Water/SoilThe Henry's Law constant for 1H-1,2,4-triazole is estimated as 1.5X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1H-1,2,4-triazole 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 20 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 150 days(SRC). 1H-1,2,4-triazole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 1H-1,2,4-Triazole is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 0.6 mm Hg(SRC), determined from a fragment constant method(3).
Non-Human Toxicity Excerpts/LABORATORY ANIMALS: Acute Exposure/ Skin irritation test: rabbits, exposure time 24 hr, ear, dose: approx 500 mg/animal, semi-occlusive, observation period: 7 days. Result: non-irritating./LABORATORY ANIMALS: Acute Exposure/ Eye irritation test: rabbits, dose approx 50 mg/animal, observation period: 7 days. Result: highly irritating./LABORATORY ANIMALS: Acute Exposure/ In an inhalation experiment rats and mice (strains not given) were exposed to 1H-1,2,4-triazole for 4 or 6 hr (test atmosphere saturated with the substance, whole-body exposure). Following the exposure period the animals were observed for 14 days. No signs of toxicity occurred./LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ Male and female Wistar rats were fed 1H-1,2,4-triazole in their feed for 13 weeks, dosage: 100, 500, or 2500 ppm (approx 7, 33, or 167 mg/kg bw/day). A control group received untreated diet. Results: no indications of treatment-induced organ alterations (with the exception of liver findings in the 2500 ppm group). 2500 ppm (approx 167 mg/kg bw/day): temporarily reduced food consumption and lower body weights, temporary slight convulstions in individuals, lower hemoglobin, hematocrit, MCV /mean corpuscular volume/ and MCH /mean corpuscular hemoglobin/ values in the male rats, slight to moderate fat accumulation in liver parenchyma cells in 3/15 males.For more Non-Human Toxicity Excerpts (Complete) data for 1H-1,2,4-Triazole (8 total), please visit the HSDB record page.
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of 1H-1,2,4-triazole with photochemically-produced hydroxyl radicals has been estimated as 1.0X10-13 cu cm/molecule-sec at 25 °C(SRC) using a structure estimation method(1). This corresponds to an atmospheric half-life of about 160 days at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 1H-1,2,4-Triazole is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(2). 1H-1,2,4-Triazole contains chromophores that absorb at wavelengths >290 nm(2) and therefore may be susceptible to direct photolysis by sunlight(SRC).
Wassergefährdungsklasse (WGK)2
TSCA-Inventar-StatusTSCA listed
Zollcode29339990
RTECS-Nr.XZ3806000
R-Sätze (R)22-36-63-34
ToxizitätLD50 orally in Rabbit: 1650 mg/kg LD50 dermal Rabbit 3129 - 4200 mg/kg
GefahrensymboleXn,Xi,C
hazard_noteIrritant
Sicherheitshinweise (S)36/37-45-36/37/39-27-26
Lagerklasse6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Gefahrstoffdaten288-88-0(Hazardous Substances Data)
GefahrenklasseAcute Tox. 4 OralEye Irrit. 2Repr. 1B