化工社化工社 化学情報印刷レポート · 研究参考用
ジクロラール尿素
ビスβ,β,β-トリクロロ-α-オキシエチル尿素 · 1,3-ビス(1-ヒドロキシ-2,2,2-トリクロロエチル)尿素 · ジクロラルウレア · ジクロラールウレア · CRAG実験的除草剤2 · 1,3-ビス(2,2,2-トリクロロ-1-ヒドロキシエチル)尿素 · ジクロラル尿素 · ジクロラール尿素
識別子と物理属性
| CAS No. | 116-52-9 |
|---|---|
| 分子式 | C5H6Cl6N2O3 |
| 平均分子量 | 354.8 g/mol |
| 単同位体質量 | 351.850958 g/mol |
| SMILES | O=C(NC(O)C(Cl)(Cl)Cl)NC(O)C(Cl)(Cl)Cl |
| InChIKey | PPJXIHLNYDVTDI-UHFFFAOYSA-N |
| PubChem CID | 8313 |
| ChEMBL | CHEMBL2106294 |
| EC No. | 204-144-7 |
| DTXSID | DTXSID0041852 |
| 現地名 | ジクロラール尿素 |
化学・物理的性質
| XLogP | 2 |
|---|---|
| 極性表面積 | 81.6 |
| 水素結合供与体数 | 4 |
| 水素結合受容体数 | 3 |
| 回転可能結合数 | 2 |
| 重原子数 | 16 |
| 形式電荷 | 0 |
| 複雑度 | 228 |
| 農薬 | Pesticides -> Herbicides, Urea Derivative |
| 密度 | 1.63 at 25 °C1.6982 (rough estimate) |
| Color/Form | Colorless crystals |
| 溶解度 | 0.0074 PPM SOL IN WATER @ 25 °CAt 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 chloroformSoluble in DMSO |
| 融点 | 196 °C |
| Physical Description | Colorless solid[HSDB] |
| Stability/Shelf Life | STABLE TO UV LIGHT ON FILTER PAPERTHERMALLY UNSTABLEStable to dilute acids at room temp. Decomposed by alkalis. |
| 沸点 | 451.1±45.0 °C(Predicted) |
| 屈折率 | 1.5940 (estimate) |
| 貯蔵条件 | APPROX 4°C |
| pKa（酸解離定数） | 10.43±0.46(Predicted) |
| EPAの化学物質情報 | Dichloralurea (116-52-9) |
安全性と法規制
| 有害性の概要 | Urea-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] |
|---|---|
| 相互作用 | 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 AGENTSTOXICITY 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/4. INGESTIONS OF LARGE AMOUNTS (MORE THAN 10 MG/KG) OCCURRING LESS THAN AN HR BEFORE TREATMENT, SHOULD PROBABLY BE TREATED BY GASTRIC LAVAGE: A. INTUBATE STOMACH & ASPIRATE CONTENTS. B. LAVAGE STOMACH WITH SLURRY OF ACTIVATED CHARCOAL.../&/ LEAVE 30-50 G ACTIVATED CHARCOAL IN THE STOMACH BEFORE WITHDRAWING TUBE. C. SODIUM SULFATE, 0.25 G/KG IN TAP WATER, AS A CATHARTIC. CAUTION: HYDROCARBONS (KEROSENE, PETROLEUM DISTILLATES) ARE INCLUDED IN SOME FORMULATIONS OF THESE CHEMICALS. INGESTION OF VERY LARGE AMOUNTS MAY CAUSE CNS DEPRESSION. IN THIS CASE, IPECAC IS CONTRAINDICATED. ALSO, GASTRIC INTUBATION INCURS A RISK OF HYDROCARBON PNEUMONITIS. FOR THIS REASON OBSERVE THE FOLLOWING PRECAUTIONS: (1) IF THE VICTIM IF UNCONSCIOUS OR OBTUNDED & FACILITIES ARE AT HAND, INSERT AN ENDOTRACHEAL TUBE (CUFFED, IF AVAILABLE) PRIOR TO GASTRIC INTUBATION. (2) KEEP VICTIM'S HEAD BELOW LEVEL OF STOMACH DURING INTUBATION & LAVAGE /PRC: TAP WATER IN CHILDREN, ISOTONIC SALINE IN ADULTS/ (TRENDELENBURG, OR LEFT LATERAL DECUBITUS, WITH HEAD OF TABLE TIPPED DOWNWARD). KEEP VICTIM'S HEAD TURNED TO THE LEFT. (3) ASPIRATE PHARYNX AS REGULARLY AS POSSIBLE TO REMOVE GAGGED OR VOMITED STOMACH CONTENTS. /PESTICIDES OF LOW OR MODERATE TOXICITY/ |
用途
使用
DCU (Dicloralurea) is used in the preparation of monoaromatic derivatives of pulvinic acids which may display antioxidant activity. Component of early pesticides.