알독시캅
알독시캅 · [(2-메틸-2-메틸설폰일프로필리덴)아미노] N-메틸카바메이트 · 2-메틸-2-(메틸설폰일)프로피온알데하이드 O-(메틸카밤오일)옥심 · 알드옥시캅 · 프로판날, 2-메틸-2-(메틸설폰일)-, O-[(메틸아미노)카보닐]옥심 · 프로피온알데하이드, 2-메틸-2-(메틸설폰일)-, O-(메틸카밤오일)옥심 · ALDOXYCARB · ALDICARB-SULFONE PESTANAL
식별자 및 물리적 특성
| CAS No. | 1646-88-4 |
|---|---|
| 분자식 | C7H14N2O4S |
| 평균 분자량 | 222.26 g/mol |
| 단동위원소 질량 | 222.06742793 g/mol |
| SMILES | CNC(=O)ON=CC(C)(C)S(C)(=O)=O |
| InChIKey | YRRKLBAKDXSTNC-UHFFFAOYSA-N |
| PubChem CID | 15438 |
| EC No. | 216-710-0 |
| DTXSID | DTXSID6023862 |
| 현지명 | 알독시캅 |
화학 및 물리적 성질
| XLogP | -0.6 |
|---|---|
| 극성 표면적 | 93.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 5 |
| 회전 가능 결합 수 | 4 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 326 |
| 농약 | Pesticide -> EPA IRISPesticides -> Carbamate InsecticidesPesticide (Aldicarb sulfone) -> USDA PDBPesticide degradation product |
| LogP(분배 계수) | -0.57 |
| 증기압 | 0.00009 [mmHg]1.2×10-2 Pa (25 °C) |
| Physical Description | Aldicarb sulfone is a white crystalline solid. Insecticide.White solid[CAMEO] |
| Collision Cross Section | 149.3 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID6023862] |
| 녹는점 | 132-135 °C |
| 밀도 | 1.3816 (rough estimate) |
| 굴절률 | 1.5690 (estimate) |
| 저장 조건 | 0-6°C |
| 용해도 | DMSO(약간 용해됨), 메탄올(약간 용해됨) |
| 용해도 | 10g l-1(25°C) |
| pKa(산도 계수) | 13.44±0.46(Predicted) |
| 물리적 상태 | Solid |
| 색상 | 흰색에서 황백색까지 |
| BRN | 2215242 |
| 헨리 상수 | 2.9×103 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 주요 응용 | 농업환경 |
| InChI | 1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10) |
| InChIKey | YRRKLBAKDXSTNC-UHFFFAOYSA-N |
| SMILES | CNC(ON=CC(C)(C)S(C)(=O)=O)=O |
| EPA | Aldicarb sulfone (1646-88-4) |
화학적 성질
Aldoxycarb is a carbamate pesticide used mainly as an insecticide and acaricide. It is a white crystalline powder with a slightly sulfurous odor. Aldoxycarb is extremely toxic to wildlife. Aldoxycarb (Aldicarb sulfone) is a breakdown product of aldicarb. Aldoxycarb is a degradate/metabolite of aldicarb produced by the oxidation of the thio-moiety.
안전 및 규제
| GHS 분류 | DangerH300 (92.9%): Fatal if swallowed [Danger Acute toxicity, oral]P260, P262, P264, P270, P271, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P361+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | The 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.) |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| 건강 유해성 | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| 유해성 요약 | Causes weight loss in acute oral studies of ratsCauses other degenerative changes to brain and effects on true cholinesterase in 13-week constant oral studies of rats[RTECS] A metabolite of aldicarb with less potent cholinesterase inhibiting potential[Reference #1] May cause irritationA lachrymator and cholinesterase inhibitorHighly toxic by ingestion, inhalation, and skin absorptionTargets the cardiovascular system, CNS, blood, heart, and eyes[Sigma-Aldrich MSDS] See Aldicarb. See CARBAMATE INSECTICIDES. |
| 반응성 그룹 | Carbamates |
| Reactivity Profile | ALDICARB SULFONE is a carbamate ester. Carbamates are chemically similar to, but more reactive than amides. Like amides they form polymers such as polyurethane resins. Carbamates are incompatible with strong acids and bases, and especially incompatible with strong reducing agents such as hydrides. Flammable gaseous hydrogen is produced by the combination of active metals or nitrides with carbamates. Strongly oxidizing acids, peroxides, and hydroperoxides are incompatible with carbamates. |
| Air and Water Reactions | No rapid reaction with air. No rapid reaction with water. |
용도
개요
Aldoxycarb, is also called 2-mesyl-2-methylpropionaldehyde O-methylcarbamoyloxime (IUPAC), the sulfone analog of aldicarb, is also a systemic insecticide effective for control of insects (mainly sucking insect pests such as aphids, leafhoppers, etc.).
용도
Aldicarb Sulfone is an analog of Aldicarb (A514650) detected in agricultural products as pesticide residue.
일반 설명
White crystalline solid. Insecticide.