Diquat und seine Salze

Diquat

HCID 6795CAS 231-36-7

Grundinformationen

Standard-SMILES
c1cc[n+]2c(c1)-c1cccc[n+]1CC2
InChIKey
SYJFEGQWDCRVNX-UHFFFAOYSA-N
Summenformel
C12H12N2+2
Durchschnittliche Molmasse
184,24 g/mol
Monoisotopische Masse
184,09895122

Überblick

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.

Namen und Bezeichner

Bevorzugter Name
Diquat
IUPAC
7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
Lokaler Name
Diquat und seine Salze
Englischer Name
Diquat ion
Summenformel
C12H12N2+2
Molmasse
184.24

Namen und Synonyme

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
Weitere Namen anzeigen
6,7-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
1,4
Polarare Oberfläche (TPSA)
7,8 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
0
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

Pesticides · 6 Einträge

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 · 2 Einträge

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)

Physikochemische Eigenschaften

Henry's Law Constant
2.8 · 2.8×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
LogP
-4.71 · -4.710 (est)
CAS Datenbank
2764 · 2764-72-9(CAS DataBase Reference)
EPA chemische Informationen
Diquat (2764-72-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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 · 1 Eintrag

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 · 1 Eintrag

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

Sicherheit und Schutzausrüstung

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

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) · 2 Einträge

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

Toxikologische Informationen

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 · 3 Einträge

Diquat

Ocular

2.2 x 10 ^-3 mg/kg-day

RAIS Toxicity Values · 2 Einträge

0.0022

IRIS Current

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

1.40e+02

1.80e+03

4.00e+01

2.00e+01

3.30e-01

1.70e-01

Sicherheitsdaten

ridadr
UN2781

Chemie und Industrie

Pharmakologische Informationen

MeSH Pharmacological Classification · 2 Einträge

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.

Verwendung und Herstellung

Uses · 2 Einträge

Herbicide; Pesticide; Defoliant; [ChemIDplus]

Farming (Pesticides) [Category: Industry]

Use Classification · 4 Einträge

Environmental transformation -> Pesticides (parent, predecessor)

Herbicides

Pharmaceuticals

HERBICIDES

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Anbieter17 Anbieter

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

Ergänzende Hinweise

DefinitionChEBI: 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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