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HCID 8540Erstellt: 4. November 2026

Dinex

DINEX · dn1 · DN 1 · sn46 · SN 46 · DNOCHP · dn-111 · ent157

https://huagongshe.com/de/chemical/8540

Molekülstruktur von Dinex

Identifikatoren & physikalische Daten

CAS No.131-89-5
SummenformelC12H14N2O5
Durchschnittliche Molmasse266,25 g/mol
Monoisotopische Masse266,09027155 g/mol
SMILESO=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1
InChIKeyQJYHUJAGJUHXJN-UHFFFAOYSA-N
PubChem CID8540
ChEMBLCHEMBL3188606
ChEBICHEBI:82167
EC No.205-042-5
DTXSIDDTXSID4024064
Lokaler NameDinex

Chemische & physikalische Eigenschaften

XLogP4,3
Polarare Oberfläche (TPSA)112
H-Brücken-Donoren1
H-Brücken-Akzeptoren5
Frei drehbare Bindungen1
Schwere Atome19
Formalladung0
Komplexität345
SpringerMaterials PropertiesBoiling point
PestizidePesticide -> EPA IRISPesticides -> Other Insecticides
LogP (Verteilungskoeffizient)log Kow= 4.12
Color/FormCrystalline solid
LöslichkeitSOL IN WATER, ALCOHOL, CRYSTALS SOL IN WATER, ALCOHOL.2.5-6% in petroleum oilssol in benzene, dimethylformamidevery slightly sol in waterHighly water soluble as alkali salts.In water, 15 mg/l @ 25 °CChloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)15mg/L(25 ºC)
Endocrine DisruptorsPotential endocrine disrupting compound
DecompositionWhen heated to decomposition it emits toxic fumes of nitroxides.
Schmelzpunkt225 °F (USCG, 1999)106.5-107.5 °C106°C
Dampfdruck0.00000004 [mmHg]
Physical Description2-cyclohexyl-4,6-dinitrophenol appears as yellow crystals. (USCG, 1999)Yellow solid[CAMEO] Yellow crystalline solid[MSDSonline]
Stability/Shelf LifeAPPEAR TO BE STABLE IN ACID SOLN, BUT ARE SUSCEPTIBLE TO DECOMPOSITION BY UV RADIATION IN ALKALINE SOLN. /DINITROPHENOLS/
Dissociation ConstantspKa= 4.52
Siedepunkt409.45°C (rough estimate)
Dichte1.2846 (rough estimate)
Brechungsindex1.6660 (estimate)
AggregatzustandSolid
pKa (Säurekonstante)4.08±0.38(Predicted)
FarbePale Yellow to Yellow
Henry-Konstante1.8×102 mol/(m3Pa) at 25℃, HSDB (2015)
EPA chemische InformationenDinex (131-89-5)

Sicherheit & Vorschriften

GHS-EinstufungDangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P261, P262, P264, P270, P271, P273, P280, P301+P316, P302+P352, P304+P340, P316, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Regulatorische InformationenThe 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.)
DOT-KennzeichnungPoison
BrandgefahrenSpecial Hazards of Combustion Products: Can detonate or explode when heated under confinement. (USCG, 1999)
BrandpotenzialFire hazard.
GesundheitsgefahrenLiver damage, metabolic stimulant, dermatitis, dilation of pupils. (USCG, 1999)
GefahrenübersichtA skin irritantDinex is 2.5 times more potent in killing snails than Dinoseb[HSDB] Liver damage, metabolic stimulant, dermatitis, dilation of pupils. [CAMEO] Toxic by inhalation, ingestion, and skin contact[eChemPortal: ESIS] See Dinoseb.
Reaktive GruppeNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic
Special Reports2-Cyclohexyl-4,6-dinitrophenolDangerous Prop Ind Mater Rep 7 (1)48-50 (1987)
RCRA-AnforderungenP034As stipulated in 40 CFR 261.33, when 2,4-dinitro-6-cyclohexylphenol, 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 container or inner liner used to hold this waste or 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(e)).
Reactivity AlertsExplosive
Reactivity ProfileReacts with oxidizing materials and combustibles (USCG, 1999). Special Hazards of Combustion Products: Can detonate or explode when heated under confinement (USCG, 1999). Aromatic nitro compounds, such as 2-CYCLOHEXYL-4,6-DINITROPHENOL, range from slight to strong oxidizing agents. If mixed with reducing agents, including hydrides, sulfides and nitrides, they may begin a vigorous reaction that culminates in a detonation. The aromatic nitro compounds may explode in the presence of a base such as sodium hydroxide or potassium hydroxide even in the presence of water or organic solvents. The explosive tendencies of aromatic nitro compounds are increased by the presence of multiple nitro groups. Phenols do not behave as organic alcohols, as one might guess from the presence of a hydroxyl (-OH) group in their structure. Instead, they react as weak organic acids. Phenols and cresols are much weaker as acids than common carboxylic acids (phenol has pKa = 9.88). These materials are incompatible with strong reducing substances such as hydrides, nitrides, alkali metals, and sulfides. Flammable gas (H2) is often generated, and the heat of the reaction may ignite the gas. Heat is also generated by the acid-base reaction between phenols and bases.
Air and Water ReactionsNo rapid reaction with air. No rapid reaction with water.
BrandbekämpfungFire Extinguishing Agents: Water, dry chemical, carbon dioxide, foam (USCG, 1999)
Erste HilfeRemove victim from contaminated area and wash exposed skin with soap and water. Administer oxygen if respiratory problems develop. Refer to a doctor. (USCG, 1999)
ReinigungsverfahrenSpillages of pesticides at any stage of their storage or handling should be treated with great care. Liquid formulations may be reduced to solid phase by evaporation. Dry sweeping of solids is always hazardous: these should be removed by vacuum cleaning, or by dissolving them in water, or other solvent in the factory environment. /Pesticides/
Freisetung ohne BrandExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
EntsorgungsverfahrenGenerators of waste (equal to or greater than 100 kg/mo) containing this contaminant, EPA hazardous waste number P034, must conform with USEPA regulations in storage, transportation, treatment and disposal of waste.
Preventive MeasuresSmoking, eating, and drinking before washing should be absolutely prohibited when any pesticide ... is being handled or used. /Pesticides/
Isolation and EvacuationExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Personal Protective Equipment (PPE)Self-contained breathing apparatusbutyl rubber glovesgoggleslab coatprotective shoes. (USCG, 1999)
ZielorganeOcular
UmweltverhaltenTERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 4,150(SRC) from a log Kow of 4.12(2) and a regression derived equation(3) indicates that 2,4-dinitro-6-cyclohexylphenol is expected to have slight mobility in soil(SRC). However, the pKa of 2,4-dinitro-6-cyclohexylphenol is 4.52(4), which indicates that this compound will exist primarily as an anion in moist soil surfaces and anions are expected to have higher mobility in soils than the neutral species(SRC). Volatilization of 2,4-dinitro-6-cyclohexylphenol from moist soil surfaces is not expected to be an important fate process(SRC) since the anion will not volatilize and the neutral species has an estimated Henry's Law constant of 5.5X10-8 atm-cu m/mole at 25 °C(SRC) using a fragment constant estimation method(5). 2,4-Dinitro-6-cyclohexylphenol is not expected to volatilize from dry soil surfaces(SRC) based upon its estimated vapor pressure of 4.2X10-8 mm Hg at 25 °C(SRC) determined from a fragment constant method(6).AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 4,150(SRC) from a log Kow of 4.12(2) and a regression derived equation(3) indicates that 2,4-dinitro-6-cyclohexylphenol is expected to adsorb to suspended solids and sediment in water(SRC). However, the pKa of 2,4-dinitro-6-cyclohexylphenol is 4.52(4), which indicates that this compound will exist primarily as an anion in water and anions may not adsorb to suspended solids and sediment(SRC). Volatilization of 2,4-dinitro-6-cyclohexylphenol from water surfaces is not expected to be an important fate process(SRC) since the anion will not volatilize and the neutral species has an estimated Henry's Law constant of 5.5X10-8 atm-cu m/mole at 25 °C(SRC) using a fragment constant estimation method(5). According to a classification scheme(6), an estimated BCF value of 800(SRC), from its log Kow(2) and a regression derived equation(3), suggests that the potential for bioconcentration in aquatic organisms is high.ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 2,4-dinitro-6-cyclohexylphenol, which has an estimated vapor pressure of 4.2X10-8 mm Hg at 25 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase 2,4-dinitro-6-cyclohexylphenol is expected to be degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC)the half-life for this reaction in air is estimated to be 38 hours(SRC) from its estimated rate constant of 1X10-11 cu cm/molecule-sec at 25 °C(3). Particulate-phase 2,4-dinitro-6-cyclohexylphenol may be removed from the air by wet and dry deposition(SRC). Nitrophenols exhibit strong absorption of UV light at wavelengths greater than 290 nm(4), suggesting that 2,4-dinitro-6-cyclohexylphenol has the potential to undergo direct photolysis in the environment(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.
EPA IRIS Information4,6-Dinitro-o-cyclohexyl phenolOcular2 x 10 ^-3 mg/kg-day
Soil Adsorption/MobilityThe Koc of 2,4-dinitro-6-cyclohexylphenol is estimated as approximately 4,150(SRC), from its log Kow of 4.12(1) and a regression derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 2,4-dinitro-6-cyclohexylphenol is expected to have slight mobility in soil. However, the pKa of 2,4-dinitro-6-cyclohexylphenol is 4.52(4), which indicates that this compound will exist primarily as an anion in moist soil surfaces and anions are expected to have very high mobility in soils than the neutral species(SRC).
Human Toxicity ExcerptsSkin contact may lead to local necrosis but rarely if ever to dangerous systemic effects (by this portal).SYMPTOMATOLOGY: 1. MARKED FATIGUE, TREMENDOUS THIRST, PROFUSE SWEATING, FLUSHING OF FACE. 2. NAUSEA, VOMITING, ABDOMINAL PAIN, & OCCASIONALLY DIARRHEA. 3. RESTLESSNESS, ANXIETY, EXCITEMENT, OCCASIONALLY LEADING TO CONVULSIONS. /DINITROPHENOL/SYMPTOMATOLOGY: 4. RISE IN BODY TEMP...ROUGHLY PROPORTIONAL TO TOXIC DOSE, MAY CULMINATE IN SEVERE HYPERPYREXIA... 5. TACHYCARDIA, HYPERPNEA, DYSPNEA, CYANOSIS, &...MUSCLE CRAMPS. 6. LOSS OF CONSCIOUSNESS, CESSATION OF BREATHING, & DEATH. /DINITROPHENOL/SYMPTOMATOLOGY: 7. LATE COMPLICATIONS: A. DECR URINE OUTPUT WITH ALBUMINURIA, CASTS, PIGMENTS, SOMETIMES BLOOD CELLS, DUE TO TOXIC NEPHRITIS. B. JAUNDICE & TENDERNESS IN LIVER REGION DUE TO TOXIC HEPATITIS. /DINITROPHENOL/SYMPTOMATOLOGY: 8. OCCASIONAL HYPERSENSITIVITY REACTIONS AFTER REPEATED EXPOSURES (OR IN CHRONIC POISONING) INCLUDE AGRANULOCYTIC ANGINA, SKIN RASHES, PERIPHERAL NEURITIS, & LATE CATARACT FORMATION. /DINITROPHENOL/
Artificial Pollution Sources2,4-Dinitro-6-cyclohexylphenol's production and use as an intermediate in the manufacture of insecticides(1) may result in its release to the environment through various waste streams(SRC).
Environmental BiodegradationAn unidentified Coccobacillus isolated from a molluscicide test chamber containing Australorbis glabratus pr strain was capable of growing in medium containing 4,6-dinitro-2-cyclohexylphenol as the sole nitrogen source(1).
Environmental BioconcentrationAn estimated BCF value of 800 was calculated for 2,4-dinitro-6-cyclohexylphenol (SRC), using a log Kow of 4.12(1) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is high.
Volatilization from Water/SoilThe Henry's Law constant for 2,4-dinitro-6-cyclohexylphenol is estimated as 5.5X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2,4-dinitro-6-cyclohexylphenol is not expected to volatilize from moist soil or water surfaces(2). 2,4-Dinitro-6-cyclohexylphenol is not expected to volatilize from dry soil surfaces(SRC) based upon its estimated vapor pressure of 4.2X10-8 mm Hg at 25 °C(SRC) determined from a fragment constant method(3). The pKa of 2,4-dinitro-6-cyclohexylphenol is 4.52(4), which indicates that this compound will exist primarily as an anion in moist soil and water surfaces and should not volatilize(SRC).
Non-Human Toxicity ExcerptsDINEX WAS 1.3 TIMES MORE POTENT THAN DN-O-TBP, 2.5 TIMES MORE POTENT THAN 2,4-DINITRO-6-SEC BUTYLPHENOL, & 7 TIMES MORE POTENT THAN 2,4-DINITRO-6-PHENYLPHENOL IN KILLING SNAILS AFTER 24-HR EXPOSURE.
Environmental Abiotic DegradationThe rate constant for the vapor-phase reaction of 2,4-dinitro-6-cyclohexylphenol with photochemically-produced hydroxyl radicals has been estimated as 1X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 38 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). 2,4-Dinitro-6-cyclohexylphenol is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(2). Nitrophenols exhibit strong absorption of UV light at wavelengths greater than 290 nm(3), suggesting that 2,4-dinitro-6-cyclohexylphenol has the potential to undergo direct photolysis in the environment(SRC). The pKa of 2,4-dinitro-6-cyclohexylphenol was reported as 4.52(4), which indicates that this compound will exist primarily as an anion in moist soil and water surfaces(SRC).
CERCLA-MeldepflichtmengenPersons 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) 424-8802In the Washington D.C. metropolitan area (202) 426-2675. The rule for determining when notification is required is stated in 40 CFR 302.4 (section IV. D.3.b).
Landesrichtlinien für Trinkwasser(FL) FLORIDA 500 ug/l
UN-Transportnummer2779
R-Sätze (R)23/24/25-50/53
GefahrensymboleT,N
Sicherheitshinweise (S)13-45-60-61
Gefahrenklasse6.1(b)
VerpackungsgruppeIII
Gefahrstoffdaten131-89-5(Hazardous Substances Data)