Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Dimethachlor
a4766 · a5089 · TERIDOX · CGA-17024 · imethachlor · Dimethochlor · DIMETHACHLOR · dimethachlore
식별자 및 물리적 특성
| CAS No. | 50563-36-5 |
|---|---|
| 분자식 | C13H18ClNO2 |
| 평균 분자량 | 255.74 g/mol |
| 단동위원소 질량 | 255.1026065 g/mol |
| SMILES | COCCN(C(=O)CCl)c1c(C)cccc1C |
| InChIKey | SCCDDNKJYDZXMM-UHFFFAOYSA-N |
| PubChem CID | 39722 |
| ChEMBL | CHEMBL1374401 |
| ChEBI | CHEBI:81911 |
| EC No. | 256-625-6 |
| DTXSID | DTXSID3058111 |
화학 및 물리적 성질
| XLogP | 2.3 |
|---|---|
| 극성 표면적 | 29.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 5 |
| 무거운 원자 수 | 17 |
| 형식 전하 | 0 |
| 복잡도 | 238 |
| Kovats Retention Index | 1847.71863 |
| Collision Cross Section | 151.68 Ų [M+H]+165.1 Ų [M+Na]+151.73 Ų [M+H]+ [CCS Type: TWBuffer gas: N2Ionization: GC-APCI+]150.68 Ų [M]+ [CCS Type: TW |
| 녹는점 | 46°C |
| 끓는 점 | 320°C (rough estimate) |
| 밀도 | 1.1266 (rough estimate) |
| 굴절률 | 1.5270 (estimate) |
| 저장 조건 | 0-6°C |
| pKa(산도 계수) | 1.57±0.50(Predicted) |
| BRN | 2982991 |
| 헨리 상수 | 5.9×103 mol/(m3Pa) at 25℃, Maniere et al. (2011) |
| 주요 응용 | 농업환경 |
| InChI | 1S/C13H18ClNO2/c1-10-5-4-6-11(2)13(10)15(7-8-17-3)12(16)9-14/h4-6H,7-9H2,1-3H3 |
| InChIKey | SCCDDNKJYDZXMM-UHFFFAOYSA-N |
| SMILES | COCCN(C(=O)CCl)c1c(C)cccc1C |
| EPA | Dimethachlor (50563-36-5) |
안전 및 규제
| GHS 분류 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]H317: May cause an allergic skin reaction [Warning Sensitization, Skin]H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) |
|---|---|
| 규제 정보 | Commission Regulation (EC) No 1490/20022009/77/EC, Reg. (EU) 2021/1449, Reg. (EU) 2022/1480, Reg. (EU) 2023/2592, Reg. (EU) No 540/2011 |
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Sens. 1 (100%)Aquatic Acute 1 (100%)Aquatic Chronic 1 (100%)Acute toxicity - category 4Skin sensitisation - category 1Hazardous to the aquatic environment (acute) - category 1Hazardous to the aquatic environment (chronic) - category 1Acute Tox. 4 *Aquatic Chronic 1 |
| 수질 위해 등급(WGK) | 3 |
| TSCA 등재 상태 | TSCA listed |
| RTECS 번호 | AB5438000 |
| 운송 번호(UN) | UN3077 9/PG 3 |
| 위험 문구(R) | 22-43-50/53 |
| 위험 표시 | Xn,N |
| 안전 문구(S) | 24-37-60-61 |
| 위험 등급 | Acute Tox. 2 InhalationAcute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1Skin Sens. 1 |
| 저장 분류 | 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials |
용도
용도
Dimethachlor is a pesticide.