Cycluron

HCID 16554CAS 2163-69-1

기본 정보

표준 SMILES
CN(C)C(=O)NC1CCCCCCC1
InChIKey
DQZCVNGCTZLGAQ-UHFFFAOYSA-N
분자식
C11H22N2O
평균 분자량
198.31 g/mol
단동위원소 질량
198.17321332

개요

Cycluron is a member of ureas.

이름 및 식별자

우선 이름
Cycluron
IUPAC
3-cyclooctyl-1,1-dimethylurea
영어명
CYCLURON
분자식
C11H22N2O
분자량
198.31

이름 및 동의어

CYCLURON2163-69-13-Cyclooctyl-1,1-dimethylureaCyclouronUrea, N'-cyclooctyl-N,N-dimethyl-N'-Cyclooctyl-N,N-dimethylureaN-Cyclooctyl-N',N'-dimethylureaHS 61Urea, 3-cyclooctyl-1,1-dimethyl-V8K90CTK5QDTXSID8041824RefChem:581328
이름 더 보기
COMUhs61Alipur-OCycluron Solution, 100ppmEnavogliflozin Impurity 303-cyclooctyl-1,1-dimethyl-ure1,1-Dimethyl-3-cyclooctylurea
DTXCID6021824218-493-81-cyclooctyl-3,3-dimethylurea3-Cyclooctyl-1,1-dimethylharnstoffOMUCaswell No. 271ACycluron [BSI:ISO]HSDB 1553

데이터베이스 식별자

CAS
2163-69-1
PubChem CID
16554
DTXSID
DTXSID8041824
ChEMBL
CHEMBL1879112
ChEBI
CHEBI:82231
UNII
V8K90CTK5Q
EC Number
218-493-8
Nikkaji
J9.285A

물성

구조 계산 물성

XLogP
2.4
극성 표면적
32.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
1
회전 가능 결합 수
1
무거운 원자 수
14

실험 및 물리화학적 성질

Pesticides · 3건

Herbicides

Active substance -> EU Pesticides database: Not approved

Pesticides -> Herbicides, Urea Derivative

OdorODORLESS
Color/FormCOLORLESS CRYSTALS
Solubility · 3건

SOLUBILITY @ 20 °C: 1.1 G/L WATER, 67 G/KG ACETONE, 55 G/KG BENZENE, 500 G/KG METHANOL

In water at 20 °C, 0.11%. In acetone 6.7%, benzene 5.5%, methanol 50%, ethyl acetate 4.4 g/100g, diethyl ether 1.6g/100g (all at 20 °C).

In water 1.2X10+3 mg/l at 20 °C

CorrosivityNoncorrosive
Human DrugsPharmaceuticals

물리화학적 성질

녹는점
138 ℃ · 138℃
끓는 점
335.64 °C · 335.64°C (rough estimate)
밀도
0.97 · 0.97
굴절률
1.462 · 1.4620 (estimate)
인화점
100 °C · >100 °C
산도 계수 (pKa)
13.97 · 13.97±0.20(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.

유해성 정보

Regulatory Information2002/2076
Hazards SummaryUrea-derived herbicides have low toxicity in animal feeding studies; [HSDB] Systemic toxicity unlikely unless large amounts ingested; [EPA Pesticides, p. 122] May cause irritation; [MSDSonline]
Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 및 보호

Disposal Methods · 1건

SRP: 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.

Preventive MeasuresAvoid skin and eye contact and inhalation of spray mists. Prevent drifting.

독성 정보

Environmental Fate · 4건

TERRESTRIAL FATE: In soil ... demethylation of the nitrogen atom, hydrolytic cleavage, and liberation of carbon dioxide and ammonia /occurs/.

TERRESTRIAL FATE: Based on a recommended classification scheme(1), estimated Koc values ranging from 88 to 160(SRC), determined from an experimental water solubility of 1200 mg/l(2) and a structure estimation method(3), indicate that cycluron is expected to have moderate to high mobility in soil(SRC). Volatilization of cycluron from moist soil surfaces is not expected given an estimated Henry's Law constant of 1.2X10-8 atm-cu m/mole(SRC), using a fragment constant estimation method(4). Cycluron is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 2.6X10-5 mm Hg(SRC), determined from a fragment constant method(5). Cycluron had a mobility factor of 3.8 in Hagerstown silty clay loam(4.3% organic matter, 30% clay, pH 5.5) and 4.3 in Lakeland sandy loam(3.3% organic matter, 10% clay, pH 6.2) soil columns(6). Mobility factors of 1 and 6 indicate no movement and maximum movement in the soil column, respectively(6). A 50% decrease in degradation of the urea herbicide, diuron, after soil sterilization(7) indicates that microorganisms may be important in the transformation of cycluron(SRC). The soil persistence of cycluron was reported as 4.5 to 60 weeks at doses of 0.125 to 2.0 lb/acre, based on the time taken for its activity to decrease below levels giving 50% and 20% growth inhibition in Italian ryegrass(8).

AQUATIC FATE: Based on a recommended classification scheme(1), estimated Koc values ranging from 88 to 160(SRC), determined from an experimental water solubility of 1200 mg/l(2) and a structure estimation method(3), indicate that little adsorption to suspended solids and sediment in water is expected for cycluron(SRC). Cycluron is not expected to volatilize from water surfaces based on an estimated Henry's Law constant of 1.2X10-8 atm-cu m/mole(SRC), developed using a fragment constant estimation method(5). According to a classification scheme(6), estimated BCF values ranging from 11 to 79(4,SRC), determined from an experimental water solubility of 1200 mg/l(2) and an estimated log Kow of 2.8(7,SRC), suggest that bioconcentration in aquatic organisms is low to moderate, not high(SRC).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), cycluron, which has a vapor pressure of 1X10-7 mm Hg at 20 °C(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase cycluron 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 about 15 hours(3,SRC). Particulate-phase cycluron may be physically removed from the air by wet and dry deposition(SRC).

Soil Adsorption/Mobility · 2건

Koc = 93 (calculated from water solubility by regression equations). /From table/

Using a structure estimation method based on molecular connectivity indices(1), the Koc for cycluron can be estimated to be about 160(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that cycluron is expected to have moderate mobility in soil(SRC). An estimated Koc value of 88(3,SRC) was calculated from a measured water solubility of 1200 mg/l at 20 °C(4). According to a recommended classification scheme(2), this estimated Koc value suggests that cycluron is expected to have high mobility in soil(SRC).

Artificial Pollution SourcesCycluron's former production and use as a pre-emergence herbicide(1,2) will have resulted in its release to the environment(SRC).
Environmental Biodegradation · 3건

... Some plants such as cotton are able to degrade herbicidal ureas relatively rapidly to nonphytotoxic compounds. /Ureas/

Urea herbicides readily undergo photolysis. /Urea herbicides/

A decrease in degradation of urea herbicides after soil sterilization was observed; approx. 30% of diuron was degraded after 4 weeks in nonsterilized soil samples, <15% of diuron was degraded after 4 weeks in sterile soil(1). The soil persistence of cycluron was reported as 4.5 to 60 weeks at doses of 0.125 to 2.0 lb/acre, based on the time taken for its activity to decrease below levels giving 50% and 20% growth inhibition in Italian ryegrass(2).

Environmental Bioconcentration · 2건

Bioconcentration factor = 12 (calculated from water solubility by regression equations). /From table/

An estimated BCF value of 79 was calculated for cycluron(SRC), using an estimated log Kow of 2.8(1,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is moderate, not high(SRC). An estimated BCF value of 11 was calculated for cycluron(SRC), using an experimental water solubility of 1200 mg/l at 20 °C(4,SRC) and a recommended regression-derived equation(2). According to a classification scheme(3), this BCF value suggests that bioconcentration in aquatic organisms is low(SRC).

Volatilization from Water/Soil · 1건

The Henry's Law constant for cycluron is estimated as 1.2X10-8 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that cycluron will be essentially nonvolatile from water surfaces(2,SRC). Cycluron's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is not expected (SRC). Cycluron is not expected to volatilize from dry soil surfaces based on an estimated vapor pressure of 2.6X10-5 mm Hg(SRC), determined from a fragment constant method(3).

안전 데이터

wgk
3
rtecs
YS7875000
risk_code
22
hazard_code
Xn
safety_code
26-36-45
유해 물질 데이터
2163-69-1(Hazardous Substances Data)

화학 및 산업

약리 정보

Mechanism of Action · 2건

Their herbicidal activity depends on inhibition of photosynthesis by blocking of electron transport in Photosystem II. /Ureas/

/In photosynthesis/ ... The urea herbicides interfere with the mechanism of oxygen evolution ... A flavin-containing enzyme may be involved in the photosynthetic reaction sequence in which oxygen is produced. Blocking this enzyme by urea results in the destruction of the plant by starvation or as a result of accumulation of a phytotoxic product. /Urea herbicides/

Metabolism/MetabolitesIn ... plants, and warm-blooded animals, demethylation of the nitrogen atom, hydrolytic cleavage, and liberation of carbon dioxide and ammonia /occurs/.
Absorption, Distribution and ExcretionHerbicidal ureas are mainly absorbed via the plant roots and are translocated with the transpiration current to their site of action in the green plant parts. /Ureas/

용도 및 제조

Uses · 6건

Used formerly as pre-emergence herbicide for onions, spinach, sugar beets, forestry, and other crops; Formerly used in 3:2 formulation with Chlorbufam; Discontinued by BASF sometime before 1985; [HSDB]

Farming (Pesticides) [Category: Industry]

PRE-EMERGENCE HERBICIDE /SRP: FORMER USE/

In combination (3:2) with chlorbufam, pre-emergence herbicidal control of annual weeds in onions, peas, beans, and spinach. Also used in forestry, on seed beds before planting out and on beds for transplanting vegetables (restricted use). /SRP: Former use/

Use ... for pre-emergence weed control in ... spinach. /SRP: Former use/

CYCLURON IS USED IN 3:2 MIXTURE WITH CHLORBUFAM AS A PRE-EMERGENCE HERBICIDE @ 3-6 L 'ALIPUR'/HECTARE FOR CONTROL OF ANNUAL WEEDS IN SUGAR BEET AND SEVERAL VEGETABLE CROPS. /SRP: FORMER USE/

Methods of Manufacturing · 2건

BY REACTION OF CYCLO-OCTYLAMINE WITH DIMETHYLCARBAMOYL CHLORIDE

Dry hydrogen chloride is led into a solution of 127 parts of cyclooctylamine in 410 parts of dry dioxane at room temperature until the whole of the amine has been converted into the hydrochloride. Then dry phosgene is led into the solution kept at 90 °C until the color of the solution has changed to yellow-brown, which requires about 2 to 3 hr. After distilling off about 100 parts of dioxane (whereby the excess of phosgene and hydrogen chloride are removed), dimethylamine is led into the solution of the cyclooctyl isocyanate formed at room temperature until it is saturated and the reaction mixture kept at 50 °C for 1 hr after the end of the introduction; it is then allowed to cool and the precipitated 1-cyclooctyl-3,3-dimethylurea is filtered off by suction, suspended in water and after repeated filtration by suction dried in a vacuum drying cabinet at 60 °C. If necessary the compound can be recrystallized from cyclohexane. 168 parts of 1-cyclooctyl-3,3-dimethylurea ... are obtained.

Formulations/Preparations · 4건

ALIPUR, AN EMULSIFIABLE CONCENTRATE (150 G CYCLURON AND 100 G CHLORBUFAM/L).

... /TRIXABON IS/ COMBINATION OF DIMEXAN, CYCLURON (OMU), AND CHLORBUFAM (BIPC) AS AN EMULSIFIABLE CONCENTRATE, 73.2% WEIGHT/VOLUME ACTIVE INGREDIENTS. /TRIXABON/

HS 61

ALIPUR-O

Use ClassificationPharmaceuticals
General Manufacturing Information · 5건

CYCLURON WAS INTRODUCED IN 1958 BY BASF AG AS COMPONENT OF THEIR HERBICIDE 'ALIPUR', PROTECTED BY DBP (WEST GERMAN PATENT) 1027930; 1062482.

Product discontinued by BASF Aktiengesellschaft.

NITROSATION OF CYCLURON WAS INVESTIGATED IN PRESENCE OF 6 N HCL OR ACETIC ACID @ PH 1 & EXCESS SODIUM NITRITE FOR 4 HR @ 37 °C AND FOUND TO FORM A 7% YIELD OF DIMETHYLNITROSAMINE.

Discontinued name: Alipur (with chlorbufam) (BASF AG)

NITROSATION OF CYCLURON WAS INVESTIGATED IN PRESENCE OF 6 N HCL OR ACETIC ACID @ PH 1 & EXCESS SODIUM NITRITE FOR 4 HR @ 37 °C AND FOUND TO FORM A 7% YIELD OF DIMETHYLNITROSAMINE.

응용 분야

용도Cycluron is a pesticide.

상·하류 제품 정보

공급사27 곳

荟达医药科技(上海)有限公司15173502222 · [email protected]
阿诺西(上海)生物技术有限公司400-1107768 15058188853 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
湖南嘉航医药科技有限公司85521272 15200744171 · [email protected]
安耐吉化学&3A(安徽泽升科技有限公司)021-58432009 400-005-6266 · [email protected]

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