기본 정보
- CAS
116-52-9- 표준 SMILES
O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl- InChIKey
PPJXIHLNYDVTDI-UHFFFAOYSA-N- 분자식
- C5H6Cl6N2O3
- 평균 분자량
- 354.8 g/mol
- 단동위원소 질량
- 351.850958
개요
structure
이름 및 식별자
- 우선 이름
- 1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)urea
- IUPAC
- 1,3-bis(2,2,2-trichloro-1-hydroxyethyl)urea
- 영어명
- DCU
- 분자식
- C5H6Cl6N2O3
- 분자량
- 354.83
이름 및 동의어
Dicloralurea116-52-9Dichloralurea1,3-Bis(2,2,2-trichloro-1-hydroxyethyl)ureaDICHLORAL UREACrag herbicide 2Crag DCU-73WDichloralureeDicloralureeDKhMExperimental herbicide 2Crag experimental herbicide 2
이름 더 보기
eh2rc9485dcu[qr]eh2[qr]dkhm[qr]dichloralrc9485[qr]
1,3-Bis(1-hydroxy-2,2,2-trichloroethyl)ureaSk&F 1995DCU Crag Herbicide 2SKF 1995DTXSID00418529J3ZB93FIENSC-32207RC 9485
데이터베이스 식별자
- CAS
116-52-9- PubChem CID
- 8313
- DTXSID
DTXSID0041852- ChEMBL
CHEMBL2106294- UNII
- 9J3ZB93FIE
- EC Number
- 204-144-7
- Nikkaji
- J5.282E
물성
구조 계산 물성
- XLogP
- 2
- 극성 표면적
- 81.6 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 228
실험 및 물리화학적 성질
PesticidesPesticides -> Herbicides, Urea Derivative
Density1.63 at 25 °C
Color/FormColorless crystals
Solubility
0.0074 PPM SOL IN WATER @ 25 °C
At 25 °C: 18.8 mg/100 g ethanol, 16.8 mg/100 g acetone, 2.5 mg/100 g ether, 5.5 mg/100 g n-hexane, 3.0 mg/100 g benzene, 1.0 mg/100 g chloroform
Melting Point196 °C
Physical DescriptionColorless solid; [HSDB]
Stability/Shelf Life
STABLE TO UV LIGHT ON FILTER PAPER; THERMALLY UNSTABLE
Stable to dilute acids at room temp. Decomposed by alkalis.
물리화학적 성질
- 녹는점
- 196 °C · 196 °C
- 끓는 점
- 451.1 · 451.1±45.0 °C(Predicted)
- 밀도
- 1.6982 · 1.6982 (rough estimate)
- 굴절률
- 1.594 · 1.5940 (estimate)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
유해성 정보
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]
독성 정보
Interactions
TOXICITY OF MIXTURES OF TRICHLOROPROPIONITRILE (TCHP) WITH DICHLORAL UREA (DCHU) & TRICHLOROACETIC ACID (TCHA) WITH DICHLORAL UREA WERE STUDIED IN 167 WHITE RATS & CATS. THE HERBICIDE COMBINATIONS EMPLOYED ARE IN ACTUAL AGRICULTURAL USE IN WESTERN PROVINCES OF UKRAINE, ESP IN LVOV PROVINCE. ACUTE POISONING BY COMBINATIONS WAS DIFFERENT FROM THAT BY INDIVIDUAL AGENTS; TOXICITY WAS LOWERED (NO 100% MORTALITY). MORTALITY INCIDENCE WAS 18.8% FOR TCHA & DCHU (6 OF 32 ANIMALS) & FOR TCHP & DCHU, 8.3% (2 OF 24 ANIMALS). MAIN SIGNS OF POISONING FROM INDIVIDUAL HERBICIDES WERE ABSENT WITH THE MIXTURES.
Environmental Biodegradation
MICROBIAL DECOMPOSITION OF 12 & 24 MG/KG DICHLORAL UREA STARTED IMMEDIATELY AFTER IT WAS MIXED WITH MEADOW PODZOLIC SOIL OR A PODZOLIZED CHERNOZEM, & 10-12 DAYS LATER AMT OF FORMED TRICHLOROACETIC ACID WAS EQUAL TO 50% OF TRICHLOROACETIC ACID FOUND IN SOIL SAMPLES MIXED WITH SODIUM TRICHLOROACETATE IN DOSES EQUIVALENT TO DOSES OF DICHLORAL UREA.
Non-Human Toxicity Excerpts
LOW SKIN IRRITANCY. CHRONIC FEEDING IN RATS CAUSED FUNCTIONAL ALTERATIONS IN BLOOD, LIVER AND KIDNEY.
SLIGHT CYTOGENETIC EFFECT WAS FOUND IN MOUSE BONE-MARROW CELLS TREATED WITH DICHLORAL UREA.
Antidote and Emergency Treatment
1. WASH CONTAMINATED SKIN WITH SOAP & WATER. 2. FLUSH CONTAMINATED EYES WITH COPIOUS AMOUNTS OF FRESH WATER FOR 15 MINUTES. 3. INGESTIONS OF SMALL AMOUNTS (LESS THAN 10 MG/KG BODY WEIGHT) OCCURRING LESS THAN AN HOUR BEFORE TREATMENT, ARE PROBABLY BEST TREATED BY: A. SYRUP OF IPECAC, FOLLOWED BY 1-2 GLASSES OF WATER. DOSE FOR ADULTS & CHILDREN OVER 12 YEARS: 30 ML. DOSE FOR CHILDREN UNDER 12 YEARS: 15 ML. B. ACTIVATED CHARCOAL: /PRC: 30 G ACTIVATED CHARCOAL IN 3-4 OZ WATER (CHILDREN), 100 G IN 8-10 OZ WATER (ADULT)/...AFTER VOMITING STOPS. C. SODIUM OR MAGNESIUM SULFATE, 0.25 G/KG IN TAP WATER, AS A CATHARTIC. /PESTICIDES OF LOW OR MODERATE TOXICITY/
화학 및 산업
약리 정보
Mechanism of Action...ACCUMULATE IN LEAVES WHERE THEY CAUSE COLLAPSE OF PARENCHYMAL VESSELS. ... IN LEAVES THEY INHIBIT PHOTOSYNTHESIS...& ARE POWERFUL INHIBITORS OF OXIDATION OF WATER TO OXYGEN... /UREA HERBICIDES/
Metabolism/MetabolitesIn the intermediate stages of metab in...plants, monochlorourea and chloral are degraded to the major metabolite TCA (trichloroacetic acid). Residues in rape at harvest are less than 0.02 mg DCU/kg...
Absorption, Distribution and ExcretionSUBSTITUTED UREAS ARE READILY ABSORBED BY PLANT ROOTS & TRANSLOCATED TO ACCUMULATE IN LEAVES... HOWEVER, THEY DO NOT PENETRATE READILY THROUGH LEAVES. /UREA HERBICIDES/
Cellular LocationsCytoplasm
용도 및 제조
Uses
Used as pre-emergence herbicide for sugar beets, vegetables, and other crops; Union Carbide superseded product which is currently of little commercial interest; [HSDB]
Farming (Pesticides) [Category: Industry]
PREEMERGENCE HERBICIDE
Formulations/PreparationsWettable powder.
General Manufacturing Information
UNION CARBIDE SUPERSEDED PRODUCT BELIEVED TO BE CURRENTLY OF LITTLE COMMERCIAL INTEREST.
IN THE EARLY 1950'S SEVERAL SUBSTITUTED UREAS WERE DEVELOPED, THE FIRST OF WHICH, DICHLORAL UREA, ATTAINED BRIEF COMMERCIAL USE FOR THE SELECTIVE CONTROL OF WEEDS IN SUGARBEETS.
FORMERLY FOR USE ON SUGAR BEETS & CERTAIN OTHER FIELD & VEGETABLE CROPS.
Miscible with other wettable-powder herbicides.
응용 분야
용도DCU (Dicloralurea) is used in the preparation of monoaromatic derivatives of pulvinic acids which may display antioxidant activity. Component of early pesticides.
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