기본 정보
- 표준 SMILES
c1cc[n+]2c(c1)-c1cccc[n+]1CC2- InChIKey
SYJFEGQWDCRVNX-UHFFFAOYSA-N- 분자식
- C12H12N2+2
- 평균 분자량
- 184.24 g/mol
- 단동위원소 질량
- 184.09895122
개요
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.
이름 및 식별자
- 우선 이름
- Diquat
- IUPAC
- 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
- 현지명
- 1,1-에틸렌-2,2'-비피리딜륨
- 영어명
- Diquat ion
- 분자식
- C12H12N2+2
- 분자량
- 184.24
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
231-36-7、2764-72-9、85-00-7- PubChem CID
- 6795
- DTXSID
DTXSID6034554- ChEMBL
CHEMBL1625720- ChEBI
CHEBI:64163- UNII
- A9A615U4MP
- EC Number
- 220-433-0
- Nikkaji
- J4.415F
물성
구조 계산 물성
- XLogP
- 1.4
- 극성 표면적
- 7.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 0
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 14
- 형식 전하
- 2
- 복잡도
- 182
실험 및 물리화학적 성질
Pesticides
Pesticide -> EPA IRIS
Desiccants, Herbicides
Active substance -> EU Pesticides database: Not approved
Pesticides -> Herbicides, Bipyridyl
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
Density
1.22 to 1.27 at 68 °F (USCG, 1999)
1.22-1.27
Melting Point
less than 608 °F (decomposes) (NTP, 1992)
<608 °F (decomposes)
Vapor Pressure
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.
물리화학적 성질
- Henry's Law Constant
- 2.8 · 2.8×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- LogP
- -4.71 · -4.710 (est)
- EPA
- Diquat (2764-72-9)
안전 및 규제
GHS 분류
GHS Classification
Danger
H302 (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.
유해성 정보
Regulatory Information
Hazard Traits - Developmental Toxicity; Ocular Toxicity
Regulation (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 540/2011
Diquat: HSNO Approval: HSR006720 Approved with controls
Health Hazards
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)
Hazards Summary
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]
안전 및 보호
First Aid
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.
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]
독성 정보
EPA IRIS Information
Diquat
Ocular
2.2 x 10 ^-3 mg/kg-day
RAIS Toxicity Values
0.0022
IRIS Current
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
1.40e+02
1.80e+03
4.00e+01
2.00e+01
3.30e-01
1.70e-01
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
4.20e+02
5.40e+03
1.20e+02
2.00e+01
2.20e-03
Volatile
안전 데이터
- ridadr
- UN2781
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Herbicides that remove leaves from trees and growing plants. They may be either organic or inorganic. Several of the more persistent types have been used in military operations and many are toxic. (From Hawley's Condensed Chemical Dictionary, 11th ed)
Pesticides used to destroy unwanted vegetation, especially various types of weeds, grasses (POACEAE), and woody plants. Some plants develop HERBICIDE RESISTANCE.
용도 및 제조
Uses
Herbicide; Pesticide; Defoliant; [ChemIDplus]
Farming (Pesticides) [Category: Industry]
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
Pharmaceuticals
HERBICIDES
응용 분야
일반 설명Diquat 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 방법
생산 방법Diquat 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.
상·하류 제품 정보
상류 원료
공급사17 곳
추가 설명
정의ChEBI: The organic cation formed formally by addition of an ethylene bridge between the nitrogen atoms of 2,2'-bipyridine. Most often available as the dibromide.
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