Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
1,1-에틸렌-2,2'-비피리딜륨
1,1-에틸렌-2,2'-비피리딜륨 · 디쿼트 · 디쿼트이온 · 6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diium · iqua · D004178 · diquat ion · DIQUATDICATION
식별자 및 물리적 특성
| CAS No. | 231-36-7 |
|---|---|
| 분자식 | C12H12N2+2 |
| 평균 분자량 | 184.24 g/mol |
| 단동위원소 질량 | 184.09895122 g/mol |
| SMILES | c1cc[n+]2c(c1)-c1cccc[n+]1CC2 |
| InChIKey | SYJFEGQWDCRVNX-UHFFFAOYSA-N |
| PubChem CID | 6795 |
| ChEMBL | CHEMBL1625720 |
| ChEBI | CHEBI:64163 |
| EC No. | 220-433-0 |
| DTXSID | DTXSID6034554 |
| 현지명 | 1,1-에틸렌-2,2'-비피리딜륨 |
화학 및 물리적 성질
| XLogP | 1.4 |
|---|---|
| 극성 표면적 | 7.8 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 0 |
| 회전 가능 결합 수 | 0 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 2 |
| 복잡도 | 182 |
| 농약 | Pesticide -> EPA IRISDesiccants, HerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, BipyridylEnvironmental transformation -> Pesticides (parent, predecessor) |
| 식품 첨가물 | ANTIMICROBIAL AGENT -> FDA Substance added to food |
| 밀도 | 1.22 to 1.27 at 68 °F (USCG, 1999)1.22-1.27 |
| 용해도 | greater than or equal to 100 mg/mL at 68 °F (NTP, 1992) |
| Human Drugs | Pharmaceuticals |
| 끓는 점 | Decomposes (NIOSH, 2024) |
| 녹는점 | less than 608 °F (decomposes) (NTP, 1992)<608 °F (decomposes) |
| 증기압 | less than 0.000010 mmHg at 68 °F (NTP, 1992)<0.000010 mmHg |
| Physical Description | Diquat is a yellow crystalline solid dissolved in a liquid carrier. It is a water emulsifiable liquid. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since it is a liquid it can easily penetrate the soil and contaminate groundwater and nearby streams. It can cause illness by inhalation, skin absorption and/or ingestion. It is used as a herbicide.Dibromide salt: Yellow crystals. Commercial product may be found in a liquid concentrate or a solution. [NIOSH]Yellow crystalline solid dissolved in a liquid carrier. |
| Collision Cross Section | 133.6 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID7031248] |
| 헨리 상수 | 2.8×105 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| LogP(분배 계수) | -4.710 (est) |
| EPA | Diquat (2764-72-9) |
안전 및 규제
| GHS 분류 | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P319, P320, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| 규제 정보 | Hazard Traits - Developmental ToxicityOcular ToxicityRegulation (EC) No 396/2005 (amended)01/21/EC, 2010/77/EU, Reg. (EU) 2015/1885, Reg. (EU) 2016/549, Reg. (EU) 2017/841, Reg. (EU) 2018/1532, Reg. (EU) 2018/917, Reg. (EU) No 540/2011Diquat: HSNO Approval: HSR006720 Approved with controls |
| 운송 라벨(DOT) | Poison |
| 화재 위험 | Behavior in Fire: Decomposes at high temperature, charring rather than melting or boiling. (USCG, 1999) |
| 건강 유해성 | INHALATION: No appreciable vapor pressure. Prolonged contact with spray or mist may cause oral and nasal irritation. EYES: Irritation. SKIN: Irritation. INGESTION: Vomiting, diarrhea, general malaise. Possible kidney and liver damage, dyspnea, and pulmonary edema. With large doses there may be tremors or convulsions. OTHER: May be fatal if swallowed, inhaled, or absorbed through skin. (USCG, 1999) |
| 유해성 요약 | Poisoning usually occurs after toxic ingestion, e.g., attempted suicide. Symptoms of poisoning include acute renal failure, shock, convulsions, delirium, and skin burns. Diquat does not cause progressive pulmonary fibrosis as seen after paraquat poisoning. [EPA Pesticides, p. 111] Among the many herbicides in use, only the bipyridyl compounds have appeared to produce hepatic injury in humans. Even these agents have produced hepatic injury only as the result of ingestion of large amounts, not because of environmental contamination and questionably as the result of occupational exposures. [Zimmerman, p. 415] |
| 반응성 그룹 | Hydrocarbons, Aromatic |
| Reactivity Profile | DIQUAT is light sensitive. This compound can corrode aluminum and other metals. (NTP, 1992) |
| Air and Water Reactions | Water soluble. Solutions are stable in neutral and acid solutionshowever, they are unstable in alkaline solutions. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| 소화 | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| 응급 처치 | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| 비화재 누출 대응 | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Isolation and Evacuation | Excerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]: |
| Threshold Limit Values (TLV) | 0.5 [mg/m3](inhalable fraction), 0.1 mg/m3(respirable fraction)0.5 mg/m³ (inhalable fraction), 0.1 mg/m³ (respirable fraction) [1990] |
| Recommended Exposure Limit (REL) | 0.5 mg/m³ |
| Personal Protective Equipment (PPE) | Wear face shield, rubber gloves, rubber apron when handling concentrate. When spraying, wear waterproof foot wear and clothing. (USCG, 1999) |
| 표적 장기 | Ocular |
| 유해 작용 | Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation. |
| Acute Toxicity Link | Chemical: DIQUAT |
| EPA IRIS Information | DiquatOcular2.2 x 10 ^-3 mg/kg-day |
| RAIS Toxicity Values | 0.0022IRIS Current |
| Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 | 1.40e+021.80e+034.00e+012.00e+013.30e-011.70e-01 |
| Hazard Quotient Level 3 or Cancer Risk Level 1E-04 | 4.20e+025.40e+031.20e+022.00e+012.20e-03Volatile |
| 운송 번호(UN) | UN2781 |
용도
일반 설명
Diquat ion is a yellow crystalline solid dissolved in a liquid carrier. Diquat ion is a water emulsifiable liquid. The primary hazard is the threat to the environment. Immediate steps should be taken to limit its spread to the environment. Since Diquat ion is a liquid Diquat ion can easily penetrate the soil and contaminate groundwater and nearby streams. Diquat ion can cause illness by inhalation, skin absorption and/or ingestion. Diquat ion is used as a herbicide.
제조 및 합성 방법
생산 방법
Diquat is manufactured in the United Kingdom by the oxidative coupling of two molecules of pyridine over a heated Raney nickel catalyst to produce 2,20-bipyridyl, which is reacted with ethylene dibromide in water to give diquat dibromide. It is formulated worldwide in various water-soluble products and in various concentrations, typically 2 lb/gal.