1,1-에틸렌-2,2'-비피리딜륨

Diquat

HCID 6795CAS 231-36-7

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

DIQUATDiquat dication2764-72-99,10-Dihydro-8a,10a-diazoniaphenanthrene1,1'-Ethylene-2,2'-bipyridylium ion1,1'-Ethylene-2,2'-bipyridyldylium ionA9A615U4MP6,7-Dihydrodipyrido(1,2-a:2',1'-c)pyrazinediiumDipyrido(1,2-a:2',1'-c)pyrazinediium, 6,7-dihydro-DTXSID6034554CHEBI:641636,7-dihydrodipyrido[1,2-a:2',1'-c]pyrazinediium
이름 더 보기
1,1-에틸렌-2,2'-비피리딜륨디쿼트디쿼트이온6,7-Dihydrodipyrido[1,2-a:2',1'-c]pyrazine-5,8-diiumiquaD004178diquat ionDIQUATDICATIONDibromide, diquatEthylene-2,2'-bipyridinium1,1'-ethylene-2,2'-bipyridylium1,1'-Ethylene-2,2'-bipyridiniumDiquat, total dust (various compounds)
1,1'-Ethylene-2,2'-dipyridylium dibromideRefChem:134889DTXCID40145549,10-DIHYDRO-8A,10,-DIAZONIAPHENANTHRENE DIBROMIDEDiquat [ANSI:BSI:ISO]EINECS 220-433-0UNII-A9A615U4MP9,10-Dihydro-8a,10a-diazoniaphenanthrene ion

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

실험 및 물리화학적 성질

Pesticides · 6건

Pesticide -> EPA IRIS

Desiccants, Herbicides

Active substance -> EU Pesticides database: Not approved

Pesticides -> Herbicides, Bipyridyl

Environmental transformation -> Pesticides (parent, predecessor)

Herbicides

Food AdditivesANTIMICROBIAL AGENT -> FDA Substance added to food
Density · 2건

1.22 to 1.27 at 68 °F (USCG, 1999)

1.22-1.27

Solubilitygreater than or equal to 100 mg/mL at 68 °F (NTP, 1992)
Human DrugsPharmaceuticals
Boiling PointDecomposes (NIOSH, 2024)

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 · 4건

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 · 4건

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

DOT LabelPoison
Fire HazardsBehavior in Fire: Decomposes at high temperature, charring rather than melting or boiling. (USCG, 1999)
Health Hazards · 1건

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 · 1건

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]

Reactive GroupHydrocarbons, Aromatic

안전 및 보호

Fire FightingExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
First Aid · 1건

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.

Nonfire Spill ResponseExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Isolation and EvacuationExcerpt from ERG Guide 151 [Substances - Toxic (Non-Combustible)]:
Threshold Limit Values (TLV) · 2건

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

독성 정보

Target OrgansOcular
Adverse EffectsOccupational 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 LinkChemical: DIQUAT
EPA IRIS Information · 3건

Diquat

Ocular

2.2 x 10 ^-3 mg/kg-day

RAIS Toxicity Values · 2건

0.0022

IRIS Current

Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06 · 6건

1.40e+02

1.80e+03

4.00e+01

2.00e+01

3.30e-01

1.70e-01

안전 데이터

ridadr
UN2781

화학 및 산업

약리 정보

MeSH Pharmacological Classification · 2건

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 · 2건

Herbicide; Pesticide; Defoliant; [ChemIDplus]

Farming (Pesticides) [Category: Industry]

Use Classification · 4건

Environmental transformation -> Pesticides (parent, predecessor)

Herbicides

Pharmaceuticals

HERBICIDES

응용 분야 · 1건

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 · 1건

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

공급사17 곳

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
湖北薪和化工有限公司027-83258456 15392830626 · [email protected]
上海湄水化工科技有限公司021-60549325 18616193163

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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