Basic information
- Standard SMILES
c1cc[n+]2c(c1)-c1cccc[n+]1CC2- InChIKey
SYJFEGQWDCRVNX-UHFFFAOYSA-N- Molecular formula
- C12H12N2+2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.09895122
Overview
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.
Names & identifiers
- Preferred name
- Diquat
- IUPAC
- 7,10-diazoniatricyclo[8.4.0.02,7]tetradeca-1(14),2,4,6,10,12-hexaene
- English name
- Diquat ion
- Molecular formula
- C12H12N2+2
- Molecular weight
- 184.24
Names & synonyms
Show more names
Database identifiers
- 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
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 7.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 2
- Complexity
- 182
Experimental & physicochemical properties
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.
Physicochemical properties
- Henry's Law Constant
- 2.8 · 2.8×105 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- LogP
- -4.71 · -4.710 (est)
- CAS DataBase Reference
- 2764 · 2764-72-9(CAS DataBase Reference)
- FDA UNII
- 9 A615U4MP · A9A615U4MP
- EPA Substance Registry System
- Diquat (2764-72-9)
- RIDADR
- 2781 · UN2781
Safety & regulation
GHS classification
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.
Hazard information
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]
Safety & protection
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]
Toxicology
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
Safety data
- ridadr
- UN2781
Chemistry & industry
Pharmacology
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.
Uses & manufacturing
Uses
Herbicide; Pesticide; Defoliant; [ChemIDplus]
Farming (Pesticides) [Category: Industry]
Use Classification
Environmental transformation -> Pesticides (parent, predecessor)
Herbicides
Pharmaceuticals
HERBICIDES
Applications
DescriptionDiquat forms a monohydrate which consists ofcolorless to yellow crystals. Dibromide salt (herbicide) is ayellow crystal. The commercial product may be found in aliquid concentrate or a solution. Molecular weight= 344.08;Boiling point = not determined (decomposes); Freezing/Melting point = 335℃; Vapor pressure= 0.0001 mmHg at20℃. Hazard Identification (based on NFPA-704 M RatingSystem): Health 3, Flammability 1, Reactivity 0. Soluble inwater.
General DescriptionDiquat 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.
Upstream & downstream products
Upstream raw materials
Suppliers17 total
Additional notes
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.
Related reactions
No reaction records under the current filter.
Linked notes
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