Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
포메사펜
포메사펜 · 포메사펜(FOMESAFEN) · amide · 5-[2-Chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulphonyl)-2-nitrobenzamide · Fomasafen · formesafen · fomesafene · FLEX

식별자 및 물리적 특성
| CAS No. | 72178-02-0 |
|---|---|
| 분자식 | C15H10ClF3N2O6S |
| 평균 분자량 | 438.8 g/mol |
| 단동위원소 질량 | 437.9900194 g/mol |
| SMILES | CS(=O)(=O)NC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-] |
| InChIKey | BGZZWXTVIYUUEY-UHFFFAOYSA-N |
| PubChem CID | 51556 |
| ChEMBL | CHEMBL1898629 |
| ChEBI | CHEBI:81925 |
| EC No. | 276-439-9 |
| DTXSID | DTXSID7024112 |
| 현지명 | 포메사펜 |
화학 및 물리적 성질
| XLogP | 2.4 |
|---|---|
| 극성 표면적 | 127 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 9 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 28 |
| 형식 전하 | 0 |
| 복잡도 | 693 |
| LogP(분배 계수) | log Kow = 2.9 at pH 1 |
| 밀도 | 1.28 g/cu cm at 20 °C1.7075 (rough estimate) |
| Color/Form | White crystalline solid |
| 용해도 | Solubility at 25 °C (mg/mL): propylene glycol 631octanol 12ethyl decanoate 10 /Fomesafen sodium salt/In water, 50 mg/L at 20 °C아세토니트릴(약간), DMSO 에 용해됨 |
| Corrosivity | Noncorrosive under normal use conditions |
| 끓는 점 | Clear, pale, yellow odorless liquidBP: 100.6 °C. Incompatible with acids. Soluble in range of organic solvents /Reflex/ |
| Decomposition | When heated to decomposition it emits toxic vapors of /sulfur oxides, nitrogen oxides, hydrogen fluoride and hydrogen chloride/.Decomposed by light. |
| 녹는점 | 220 °C220-221°C |
| 증기압 | 0.00000075 [mmHg]<4X10-3 mPa /<3.0X10-8 mm Hg/ at 20 °C |
| Physical Description | Fomesafen is a white crystalline solid. Used as an herbicide.Colorless or white solid[HSDB] |
| Stability/Shelf Life | Stable in storage for at least 6 months at 50 degrees C |
| Dissociation Constants | pKa = 2.83 |
| 굴절률 | 1.5660 (estimate) |
| 저장 조건 | Sealed in dry,2-8°C |
| 물리적 상태 | Solid |
| pKa(산도 계수) | 23-25(at 25℃) |
| 색상 | 흰색에서 황백색까지 |
| BRN | 8165046 |
| 주요 응용 | 농업환경 |
| InChI | InChI=1S/C15H10ClF3N2O6S/c1-28(25,26)20-14(22)10-7-9(3-4-12(10)21(23)24)27-13-5-2-8(6-11(13)16)15(17,18)19/h2-7H,1H3,(H,20,22) |
| InChIKey | BGZZWXTVIYUUEY-UHFFFAOYSA-N |
| SMILES | C(NS(C)(=O)=O)(=O)C1=CC(OC2=CC=C(C(F)(F)F)C=C2Cl)=CC=C1[N+]([O-])=O |
| EPA | Fomesafen (72178-02-0) |
화학적 성질
White crystalline solid or powder.
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Fomesafen + sodium is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2002/2076The 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.) |
| 유해성 요약 | The protox inhibitor herbicides (Fomesafen, Oxadiazon, Lactofen, Sulfentrazone, Carfentrazone-ethyl, Oxyfluorofen and Bifenox) can disrupt porphyrin metabolismIt has been speculated that a transient form of porphyria variegate may occur following a massive exposure or long-term exposure to lower doses. A mild skin irritantA mild to moderate eye irritant, based on animal studies[HSDB] May cause irritation[MSDSonline] See Fluthiacet-methyl. |
| 반응성 그룹 | Amides and ImidesNitro, Nitroso, Nitrate, and Nitrite Compounds, OrganicFluorinated Organic CompoundsAryl Halides |
| FIFRA 요건 | Tolerances are established for residues of the herbicide fomesafen, including its metabolites and degradates, in or on the following commodities. Compliance with the tolerance levels specified in the following table below is to be determined by measuring only fomesafen, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-(methylsulfonyl)-2-nitrobenzamide, in or on the commodity. [Table#6137]New Active Ingredients ... includes chemicals not previously registered as pesticides, as well as pesticide active ingredients initially registered after November 1, 1984 and that currently have active product registrations. By law, these pesticides must meet new safety standards, such as those described in the Food Quality Protection Act of 1996 and, if new safety standards are met, will be reviewed again on a 15-year cycle. Fomesafen sodium is designated by EPA as a New Pesticide Active Ingredient. Active Ingredient Number: 123802Type of Pesticide: conventional - herbicideUse Site: food use, trees, non-agricultural useYear: 1987. |
| Reactivity Profile |
용도
용도
Fomesafen is a protoporphyrinogen oxidae (PPO) inhibitor.
일반 설명
White crystalline solid. Used as an herbicide.