Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Chloridazon
Chloridazon · PYRAZON · Phenazon · Chloridazone · Trojan · Gladiator · Copolymer of Phosphono and carboxylic Acid · 5-Amino-4-chloro-2-phenylpyridazin-3(2H)-one

식별자 및 물리적 특성
| CAS No. | 1698-60-8 |
|---|---|
| 분자식 | C10H8ClN3O |
| 평균 분자량 | 221.64 g/mol |
| 단동위원소 질량 | 221.0355896 g/mol |
| SMILES | Nc1cnn(-c2ccccc2)c(=O)c1Cl |
| InChIKey | WYKYKTKDBLFHCY-UHFFFAOYSA-N |
| PubChem CID | 15546 |
| ChEMBL | CHEMBL1525705 |
| ChEBI | CHEBI:81838 |
| EC No. | 216-920-2 |
| DTXSID | DTXSID3034872 |
화학 및 물리적 성질
| XLogP | 0.8 |
|---|---|
| 극성 표면적 | 58.7 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 15 |
| 형식 전하 | 0 |
| 복잡도 | 332 |
| SpringerMaterials Properties | Fusion temperature |
| 농약 | HerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, OtherPesticides -> Herbicides -> Pyridazinone herbicidesEnvironmental transformation -> Pesticides (parent, predecessor) |
| LogP(분배 계수) | log Kow = 1.141.19 |
| 냄새 | Odorless |
| 밀도 | 1.54 g/cu cm at 20 °C1.4884 (rough estimate) |
| Color/Form | Colorless solid |
| 용해도 | IN WATER 400 MG/L AT 20 °CIN METHANOL 34 G/KG AT 20 °CIN ACETONE 28 G/KG AT 20 °CIN BENZENE 0.7 G/KG AT 20 °CIN CYCLOHEXANE GREATER THAN 0.01 G/100 G @ 20 °CIN CHLOROFORM 0.21 G/100 G @ 20 °CIN ETHER 0.07 G/100 G @ 20 °CIn distilled water, 340 mg/L at 20 °CIn methanol 15.1, ethyl acetate 3.7, dichloromethane 1.9, toluene 0.1 (all in g/l at 20 °C)Practically insoluble in n-hexane.In water, 400 mg/L at 20 °C25.5 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Slightlly), DMSO (Sparingly), Methanol (Slightly) |
| Corrosivity | NONCORROSIVE |
| Human Drugs | Pharmaceuticals |
| 녹는점 | 206 °CMELTING POINT: 185-195 °C /TECHNICAL PRODUCT/Brown, almost odorless. MP: 198-202 °C /technical/198-200°C |
| 증기압 | 0.00000045 [mmHg]4.50X10-7 mm Hg at 20 °C |
| Physical Description | Colorless odorless solid[HSDB] |
| 끓는 점 | 312.2±52.0 °C(Predicted) |
| 굴절률 | 1.5330 (estimate) |
| 저장 조건 | Keep in dark place,Inert atmosphere,2-8°C |
| 물리적 상태 | Solid |
| pKa(산도 계수) | 0.71±0.20(Predicted) |
| 색상 | 담황색 고체 |
| 용해도 | 0.3g/L(20℃) |
| BRN | 397241 |
| 헨리 상수 | 3.0×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| InChI | InChI=1S/C10H8ClN3O/c11-9-8(12)6-13-14(10(9)15)7-4-2-1-3-5-7/h1-6H,12H2 |
| InChIKey | WYKYKTKDBLFHCY-UHFFFAOYSA-N |
| SMILES | C1(=O)N(C2=CC=CC=C2)N=CC(N)=C1Cl |
| LogP(분배 계수) | 1.140 |
| EPA | Pyrazon (1698-60-8) |
화학적 성질
Brown Solid
안전 및 규제
| GHS 분류 | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
|---|---|
| 규제 정보 | Commission Regulation (EC) No 1490/2002Pyrazon is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/41, Reg. (EU) 2022/801, Reg. (EU) No 540/2011Chloridazon: Does not have an individual approval but may be used under an appropriate group standard |
| 기타 안전 정보 | IMAP assessments - 3(2H)-Pyridazinone, 5-amino-4-chloro-2-phenyl-: Environment tier I assessment |
| 화재 가능성 | DRY POWDER, NONFLAMMABLE. |
| 유해성 요약 | Repeated exposure may cause skin rashesCase reports of slight liver enlargement[HSDB] May cause skin sensitization[eChemPortal: ESIS] May cause irritationMay cause skin sensitization[MSDSonline] |
| Special Reports | USEPA/Office of Pesticide ProgramsReregistration Eligibility Decision Document - Pyrazon EPA 738-F-05-014 (September 2005). The RED summarizes the risk assessment conclusions and outlines any risk reduction measures necessary for the pesticide to continue to be registered in the U.S.[Available from, as of February 27, 2007: http://www.epa.gov/pesticides/reregistration/status.htm] |
| FIFRA 요건 | Tolerances are established for combined residues of the herbicide pyrazon (5-amino-4-chloro-2-phenyl-3(2H)-pyridazinone) and its metabolites (calculated as pyrazon) in or on the following food commodities: [Table#3543]The Agency made its reregistration eligibility determination based on the required data, the current guidelines for conducting acceptable studies to generate such data, and published scientific literature. The Agency has found that currently registered uses of pyrazon are eligible for reregistration.As the federal pesticide law FIFRA directs, EPA is conducting a comprehensive review of older pesticides to consider their health and environmental effects and make decisions about their future use. Under this pesticide reregistration program, EPA examines health and safety data for pesticide active ingredients initially registered before November 1, 1984, and determines whether they are eligible for reregistration. In addition, all pesticides must meet the new safety standard of the Food Quality Protection Act of 1996. Pesticides for which EPA had not issued Registration Standards prior to the effective date of FIFRA, as amended in 1988, were divided into three lists based upon their potential for human exposure and other factors, with List B containing pesticides of greater concern and List D pesticides of less concern. Pyrazon is found on List B. Case No: 2570 |
용도
용도
Herbicide, active by perturbing cell membranes