基本情報
- 標準SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1ccc(OC(F)(F)C(F)OC(F)(F)F)c(Cl)c1- InChIKey
NJPPVKZQTLUDBO-UHFFFAOYSA-N- 分子式
- C6H3F2C(O)NHC(O)NHC6H3ClOCF2CFHOCF3
- 平均分子量
- 492.7 g/mol
- 単同位体質量
- 492.01231021
概要
Novaluron is an aromatic ether, an organofluorine compound, a benzoylurea insecticide and a member of monochlorobenzenes.
名称と識別子
- 優先名称
- Novaluron
- IUPAC
- N-[[3-chloro-4-[1,1,2-trifluoro-2-(trifluoromethoxy)ethoxy]phenyl]carbamoyl]-2,6-difluorobenzamide
- 現地名
- ノバルロン
- 英語名
- Novaluron
- 分子式
- C17H9ClF8N2O4
- 分子量
- 492.7
名称と別名
名称をさらに表示
データベース識別子
- CAS
116714-46-6- PubChem CID
- 93541
- DTXSID
DTXSID5034773- ChEMBL
CHEMBL1869031- ChEBI
CHEBI:39385- UNII
- Z8H1B3CW0B
- EC Number
- 601-443-8
- Nikkaji
- J483.457G
物性
構造計算による物性
- XLogP
- 5.8
- 極性表面積
- 76.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 12
- 回転可能結合数
- 6
- 重原子数
- 32
- 形式電荷
- 0
- 複雑度
- 661
実験および物理化学的性質
PFAS
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Side-chain fluorinated aromatic
Pesticides
Insecticides
Active substance -> EU Pesticides database: Not approved
Pesticides -> Other Insecticides
Environmental transformation -> Pesticides (parent, predecessor)
Insecticides
Pesticide (Novaluron) -> USDA PDB
LogP
log Kow = 5.27
5.27
Solubility
Soluble in organic solvents
In water, 0.9531 mg/l @ 25 °C
Vapor Pressure
0.00000375 [mmHg]
3.75X10-6 mm Hg @ 40 °C
Collision Cross Section
204.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5034773]
196.35 Ų [M+H]+ [CCS Type: TW]
物理化学的性質
- 融点
- 172 · 172-174°
- 比重(密度)
- 1.66 g/cm3 · 1.66 g/cm3
- 闪点
- 202 ℃ · 202℃
- 貯蔵温度
- Sealed in dry,Room Temperature
- 溶解性
- DMSO (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly, Heated, Sonicated)
- 酸解離定数(Pka)
- 8.68 · 8.68±0.46(Predicted)
- 外見
- Solid
- 色
- White to gray
- BRN
- 5465888 · 5465888
- 主な用途
- 農業環境
- InChI
- 1S/C17H9ClF8N2O4/c18-8-6-7(4-5-11(8)31-16(22,23)14(21)32-17(24,25)26)27-15(30)28-13(29)12-9(19)2-1-3-10(12)20/h1-6,14H,(H2,27,28,29,30)
- InChIKey
- NJPPVKZQTLUDBO-UHFFFAOYSA-N
- SMILES
- FC(OC(F)(F)F)C(F)(F)Oc1ccc(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl
- CAS データベース
- 116714 · 116714-46-6(CAS DataBase Reference)
- EPAの化学物質情報
- Novaluron (116714-46-6)
安全と法規制
GHS分類
GHS Classification
Warning
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 31 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Danger
H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]
危険有害性情報
Regulatory Information
Regulation (EC) No 396/2005 (amended)
Novaluron is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2001/861
Novaluron: Does not have an individual approval but may be used under an appropriate group standard
Special Reports
California Environmental Protection Agency/Department of Pesticide Regulation; Toxicology Data Review Summaries. Available from: http://www.cdpr.ca.gov/docs/toxsums/toxsumlist.htm on Novaluron as of April 22, 2003.
US EPA; Pesticide Fact Sheet. Novaluron. Conditional Registration. September 24, 2001. Washington, DC: USEPA, Off Prev Pest Tox Sub (7501C). Available at http://www.epa.gov/opprd001/factsheets/novaluron.pdf as of April 15, 2002.
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Specific target organ toxicity - Repeated exposure - Category 1 (blood system)
Skin, Eye, and Respiratory Irritations
Causes substantial but temporary eye injury. Do not get in eyes or on clothing. Harmful if absorbed through skin. Avoid contact with skin, eyes, or clothing. ...Prolonged or frequently repeated skin contact may cause allergic reactions in some individuals.
安全と保護具
Disposal Methods
SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
Preventive Measures
SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.
Users should: Wash hands before eating, drinking, chewing gum, using tobacco, or using the toilet. Remove clothing immediately if pesticide gets inside. Then wash thoroughly and put on clean clothing.
Personal Protective Equipment (PPE)
Applicators and other handlers must wear: Long-sleeved shirt and long pants. Chemical resistant gloves such as barrier laminate, butyl rubber, nitrile rubber, neoprene rubber, or Viton. Shoes puls socks. Protective eyewear. Discard clothing and other absorbent materials that have been drenched or heavily contaminated with this product's concentrate. Do not reuse them. Follow manufacturer's instructions for cleaning/maintaining PPE. If no such instructions for washables, use detergent and hot water. Keep and wash PPE separately form other laundry.
毒性情報
Human Toxicity Excerpts
/HUMAN EXPOSURE STUDIES/ Causes substantial but temporary eye injury. Do not get in eyes or on clothing. Harmful if absorbed through skin. Avoid contact with skin, eyes, or clothing. ...Prolonged or frequently repeated skin contact may cause allergic reactions in some individuals.
/SPECIAL STUDIES/ Human lymphocytes in whole blood from a healthy male were exposed to concns of GR 572 (Novaluron Technical) (batch no. FCF/T/81-89, purity: 97.5%) ranging from 40-1,000 mg/ml for 24 hrs (non-activation) or 3 hrs (activation), followed by an addnl 21 hrs of incubation in the absence of the test material. The cells were cultured in the presence of colcemid (0.4 mg/ml, final concn) for the final 3 hrs of the incubation. A single trial was performed with triplicate plates for each treatment level. An S9 fraction derived from the liver of rats pretreated with Aroclor 1254 was used to metabolize the test material. There was no treatment-related incr in the incidence of chromosomal aberrations either under conditions of non-activation or activation.
Non-Human Toxicity Excerpts
/LABORATORY ANIMALS: Acute Exposure/ Novaluron has low to moderate acute toxicity (Toxicity Category IV for oral and inhalation and III for dermal route).
/LABORATORY ANIMALS: Acute Exposure/ Novaluron is not an eye and dermal irriitant and is not a skin sensitizer.
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ The skin of 5 CD rats/sex/group was treated with 0, 75, 400 or 1,000 mg/kg/day of RIMON Technical (... purity: 99.7%) for 6 hrs/day for 28 days. The test material was suspended in 1.0% (w/v) aq methylcellulose. No mortality resulted from the treatment. The mean body weight and food consumption values for the 1,000 mg/kg group males were less than those of the control animals. The methemoglobin concn was greater for the 1,000 mg/kg males (p<0.05) and the 400 (p<0.01) and 1,000 mg/kg (p<0.001) females. No treatment-related effects were noted in the ophthalmology, clinical chemistry, or urinalysis. There were no treatment-related lesions in either the gross or microscopic exams. ...NOEL: (Systemic) (M) 400 mg/kg/day (based upon the lower mean body weight and food consumption and increased methemoglobin level noted for the 1,000 mg/kg males) (F) 75 mg/kg/day (based upon increased methemoglobin level noted for the 400 mg/kg females); (Dermal) 1,000 mg/kg/day (no effect evident at the highest dose tested).
/LABORATORY ANIMALS: Subchronic or Prechronic Exposure/ In a subchronic rat oral study, mortality, clinical signs, body weights, food consumption & efficiency, ophthalmoscopic exams, clinical chemistry, urinalysis & gross pathology were unaffected by the test substance. At 2000 ppm, ... some histopathological changes in the spleen were noted; however, these effects were not statistically significant. Based on these histopathological parameters in the spleen, the NOAEL was estimated to be 8.3 mg/kg/day while the LOAEL was 818.5 mg/kg/day. ...
For more Non-Human Toxicity Excerpts (Complete) data for NOVALURON (7 total), please visit the HSDB record page.
Antidote and Emergency Treatment
Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if needed. Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Monitor for shock and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 ml/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . Cover skin burns with dry sterile dressings after decontamination ... . /Poison A and B/
Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, has severe pulmonary edema, or is in respiratory arrest. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Watch for signs of fluid overload. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of fluid overload ... . Treat seizures with diazepam (Valium) ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Poison A and B/
If in eyes: Hold eye open and rinse slowly and gently with water for 15-20 min. Remove contact lenses, if present, after the first 5 min, then continue rinsing eye. Call a poison control center or doctor for treatment advice.
If on skin or clothing: Take off contaminated clothing. Rinse skin immediately with plenty of water for 15-20 min. Call a poison control center or doctor for treatment advice.
For more Antidote and Emergency Treatment (Complete) data for NOVALURON (6 total), please visit the HSDB record page.
RAIS Toxicity Values
0.011
OPP
USGS Health-Based Screening Levels for Evaluating Water-Quality
Novaluron
68655
Pesticide
65
Smith, C.D. and Nowell, L.H., 2024. Health-Based Screening Levels for evaluating water-quality data (3rd ed.). DOI:10.5066/F71C1TWP
EPA Human Health Benchmarks for Pesticides
Novaluron
0.011
65
General Population
Human Health Benchmarks for Pesticides - 2021 Update
安全データ
- wgk
- 2
- ridadr
- UN 3077 9 / PGIII
- PRTR法
- 第2種指定化学物質
- risk_code
- 50/53
- hazard_code
- N
- safety_code
- 60-61
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1
- ストレージクラス
- 11 - Combustible Solids
- 有毒物質データの
- 116714-46-6(Hazardous Substances Data)
化学と産業
薬理情報
用途と製造
Uses
Used as growth regulator insecticide; [Merck Index] Used on ornamentals in greenhouses to control whiteflies, thrips, and leafminers--disrupts the normal growth and development of immature insects; [Reference #1]
Farming (Pesticides) [Category: Industry]
For Novaluron (USEPA/OPP Pesticide Code: 124002) ACTIVE products with label matches. /SRP: Registered for use in the U.S. but approved pesticide uses may change periodically and so federal, state and local authorities must be consulted for currently approved uses./
Insecticide
Novaluron belongs to a class of insecticides called insect growth regulators (IGR) that slowly kill the insects over a few days by disrupting the normal growth and development of immature insects. Novaluron [also] belongs to a class of pesticide chemicals called benzoylphenyl ureas. Some compounds of this group are broad spectrum insecticides with an insect hormonal mimicking mode of action. These IGRs affect chitin synthesis of immature insects disrupting their normal growth and development...Novaluron has low mammalian acute toxicity and has low risk to the environment and nontarget organisms.
• Insecticide [Ref: Ogawa2020]
Use Classification
Insecticides
Environmental transformation -> Pesticides (parent, predecessor)
応用分野
使用Novaluron is an insect growth regulator and shows killing effect against various larvae of genus Lepidoptera, Coleoptera, Hemiptera and Diptera.
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