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Dinex

HCID 8540
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Grundinformationen

CAS
131-89-5
Standard-SMILES
O=[N+]([O-])c1cc(C2CCCCC2)c(O)c([N+](=O)[O-])c1
InChIKey
QJYHUJAGJUHXJN-UHFFFAOYSA-N
Summenformel
C12H14N2O5
Durchschnittliche Molmasse
266,25 g/mol
Monoisotopische Masse
266,09027155

Überblick

2-cyclohexyl-4,6-dinitrophenol appears as yellow crystals. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
Dinex
IUPAC
2-cyclohexyl-4,6-dinitrophenol
Lokaler Name
Dinex
Englischer Name
2-Cyclohexyl-4,6-dinitrophenol
Summenformel
C12H14N2O5
Molmasse
266.25

Namen und Synonyme

Dinex2-Cyclohexyl-4,6-dinitrophenol131-89-5PedinexDinex [ISO]Pedinex [French]Rcra waste number P0342,4-DINITRO-6-CYCLOHEXYLPHENOLCaswell No. 391NSC 403662DTXSID4024064HSDB 6046
Weitere Namen anzeigen
dn1DN 1sn46SN 46DNOCHPdn-111ent157ENT 157NA 9026
NSC-7739EINECS 205-042-5EPA Pesticide Chemical Code 037501NSC-403662UNII-149RBS03P0BRN 2005960AI3-00157SN-46

Datenbank-Bezeichner

CAS
131-89-5
PubChem CID
8540
DTXSID
DTXSID4024064
ChEMBL
CHEMBL3188606
ChEBI
CHEBI:82167
UNII
149RBS03P0
EC Number
205-042-5
Nikkaji
J2.945I

Eigenschaften

Berechnete Struktureigenschaften

XLogP
4,3
Polarare Oberfläche (TPSA)
112 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
5
Frei drehbare Bindungen
1
Schwere Atome
19
Formalladung
0
Komplexität
345

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesBoiling point
Pesticides · 2 Einträge

Pesticide -> EPA IRIS

Pesticides -> Other Insecticides

LogP · 2 Einträge

log Kow= 4.12

4.12

Color/FormCrystalline solid
Solubility · 4 Einträge

SOL IN WATER, ALCOHOL, CRYSTALS SOL IN WATER, ALCOHOL.

2.5-6% in petroleum oils; sol in benzene, dimethylformamide; very slightly sol in water

Highly water soluble as alkali salts.

In water, 15 mg/l @ 25 °C

Endocrine DisruptorsPotential endocrine disrupting compound
DecompositionWhen heated to decomposition it emits toxic fumes of nitroxides.
Melting Point · 2 Einträge

225 °F (USCG, 1999)

106.5-107.5 °C

Vapor Pressure

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

Danger

H301: 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)

Danger

H301 (100%): 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)

Gefahrenhinweise

Regulatory InformationThe 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 LabelPoison
Fire HazardsSpecial Hazards of Combustion Products: Can detonate or explode when heated under confinement. (USCG, 1999)
Fire PotentialFire hazard.
Health HazardsLiver damage, metabolic stimulant, dermatitis, dilation of pupils. (USCG, 1999)
Hazards Summary · 1 Eintrag

A skin irritant; Dinex 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.

Reactive GroupNitro, Nitroso, Nitrate, and Nitrite Compounds, Organic

Chemie und Industrie

Pharmakologische Informationen

Absorption, Distribution and Excretion... The phenolic pesticides appear to be readily assimilated by animals but excreted slowly over a period of many weeks. /Phenolic pesticides/

Verwendung und Herstellung

Uses · 4 Einträge

Used as an insecticide (control of red mites on citrus) and molluscide; [HSDB]

Farming (Pesticides) [Category: Industry]

Insecticide, especially in control of citrus red mite

MOLLUSCIDE

Methods of ManufacturingPrepd from phenol, sulfuric acid, & cyclohexene or cyclohexanol: British patent 620,026 (1949 to Pest Control); from o-cyclohexylphenol by nitration in chloroform.
General Manufacturing Information · 4 Einträge

PRODUCT DISCONTINUED BY DOW CHEM CO FORMERLY USED ON TREE FRUITS.

DINEX WAS MOST TOXIC TO LEECHES. HOWEVER TOLERANCE WAS SUCH THAT IT WOULD BE IMPRACTICAL TO USE FOR CONTROLLING LEECHES IN THE FIELD UNLESS THE KILLING OF FISH & OTHER ANIMALS WERE UNOBJECTIONABLE.

... DINITROPHENOLS SUCH AS DINEX OR DNOCHP HAVE ... BEEN USED AT CONCENTRATIONS OF 3-5 PPM /FOR CONTROL OF AQUEOUS SNAILS/.

/Dinitrophenol/ insecticides in use are all derivatives of 4,6-dinitro-2-alkylphenol and salts or esters thereof. /Dinitrophenol/

Anbieter21 Anbieter

广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
上海艾梯西生物科技有限公司18721763493
上海倍卓生物科技有限公司021-61119791,13386096464 · [email protected]

Zugehörige Reaktionen

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Notizen zur Verbindung

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0.00000004 [mmHg]
Physical Description · 2 Einträge

2-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

Physikochemische Eigenschaften

Schmelzpunkt
106 °C · 106°C
Siedepunkt
409.45 °C · 409.45°C (rough estimate)
Dichte
1.2846 · 1.2846 (rough estimate)
Brechungsindex
1.666 · 1.6660 (estimate)
Löslichkeit
Chloroform (Slightly), DMSO (Slightly), Ethyl Acetate (Slightly)
Aggregatzustand
Solid
pka
4.08 · 4.08±0.38(Predicted)
Farbe
Pale Yellow to Yellow
Wasserlöslichkeit
15 mg/L · 15mg/L(25 ºC)
Henry's Law Constant
1.8 · 1.8×102 mol/(m3Pa) at 25℃, HSDB (2015)
EPA chemische Informationen
Dinex (131-89-5)
Special Reports
2-Cyclohexyl-4,6-dinitrophenol; Dangerous Prop Ind Mater Rep 7 (1); 48-50 (1987)
RCRA Requirements · 1 Eintrag

P034; As 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 Profile · 1 Eintrag

Reacts 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.

Sicherheit und Schutzausrüstung

Fire FightingFire Extinguishing Agents: Water, dry chemical, carbon dioxide, foam (USCG, 1999)
First AidRemove victim from contaminated area and wash exposed skin with soap and water. Administer oxygen if respiratory problems develop. Refer to a doctor. (USCG, 1999)
Cleanup Methods · 1 Eintrag

Spillages 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/

Nonfire Spill ResponseExcerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]:
Disposal MethodsGenerators 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 apparatus; butyl rubber gloves; goggles; lab coat; protective shoes. (USCG, 1999)

Toxikologische Informationen

Target OrgansOcular
Environmental Fate · 3 Einträge

TERRESTRIAL 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).

Adverse EffectsOccupational 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 Information · 3 Einträge

4,6-Dinitro-o-cyclohexyl phenol

Ocular

2 x 10 ^-3 mg/kg-day

Soil Adsorption/Mobility · 1 Eintrag

The 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 Excerpts · 5 Einträge

Skin 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 Bioconcentration · 1 Eintrag

An 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/Soil · 1 Eintrag

The 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 Degradation · 1 Eintrag

The 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).

Regulatorische Informationen

RCRA Requirements · 1 Eintrag

P034; As 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)).

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; In 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).

State Drinking Water Guidelines(FL) FLORIDA 500 ug/l

Sicherheitsdaten

ridadr
2779
risk_code
23/24/25-50/53
hazard_code
T,N
safety_code
13-45-60-61
hazard_class
6.1(b)
packing_group
III
Giftige Stoffe Daten
131-89-5(Hazardous Substances Data)
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苏州捷瑞斯生物科技有限公司15962550037 · [email protected]
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