기본 정보
- 표준 SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(F)c(Cl)c1F- InChIKey
CJDWRQLODFKPEL-UHFFFAOYSA-N- 분자식
- C14H6Cl2F4N2O2
- 평균 분자량
- 381.1 g/mol
- 단동위원소 질량
- 379.97424567
개요
Teflubenzuron is a N-acylurea that is N-carbamoyl-2,6-difluorobenzamide substituted by a 3,5-dichloro-2,4-difluorophenyl group at the terminal nitrogen atom. It has a role as an insecticide, a xenobiotic and an environmental contaminant. It is a dichlorobenzene, a difluorobenzene and a N-acylurea. It is functionally related to a N-benzoylurea.
이름 및 식별자
- 우선 이름
- Teflubenzuron
- IUPAC
- N-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamide
- 영어명
- Teflubenzuron
- 분자식
- C14H6Cl2F4N2O2
- 분자량
- 381.11
이름 및 동의어
Teflubenzuron83121-18-0NomoltN-[(3,5-dichloro-2,4-difluorophenyl)carbamoyl]-2,6-difluorobenzamideDTXSID6042440CME 1341-(3,5-Dichloro-2,4-difluorophenyl)-3-(2,6-difluorobenzoyl)ureaN-(((3,5-Dichloro-2,4-difluorophenyl)amino)carbonyl)-2,6-difluorobenzamideFS9P57VL74CME-134NSC-367306DTXCID4022440
이름 더 보기
dartMK139HOE522NEMOLTcme134diaractcme13406Terfluron
CHEBI:39387N-((3,5-dichloro-2,4-difluorophenyl)carbamoyl)-2,6-difluorobenzamideN-{[(3,5-dichloro-2,4-difluorophenyl)amino]carbonyl}-2,6-difluorobenzamideCME-13406RefChem:187707617-441-5MLS000756919Tefluron
데이터베이스 식별자
- CAS
83121-18-0- PubChem CID
- 91734
- DTXSID
DTXSID6042440- ChEMBL
CHEMBL1328219- ChEBI
CHEBI:39387- UNII
- FS9P57VL74
- EC Number
- 617-441-5
- Nikkaji
- J134.962G
물성
구조 계산 물성
- XLogP
- 4.9
- 극성 표면적
- 58.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 478
실험 및 물리화학적 성질
Pesticides
Insecticides
Active substance -> EU Pesticides database: Not approved
Environmental transformation -> Pesticides (parent, predecessor)
Insecticides, Veterinary substances
Pesticide (Teflubenzuron) -> USDA PDB
LogP2.9
Collision Cross Section
178.7 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID6042440]
171.81 Ų [M+H]+ [CCS Type: TW]
185.79 Ų [M+Na]+
물리화학적 성질
- 녹는점
- 221 · 221-224°
- 밀도
- 1.646 · 1.646±0.06 g/cm3(Predicted)
- 증기압
- 8 x · 8 x 10 -7 mPa (20 °C)
- 저장 조건
- 0 · 0-6°C
- 용해도
- DMSO (약간 용해됨), 메탄올(약간 용해됨,가열, 초음파 처리)
- 수용성
- 0.019 mg · 0.019mg l-1(23°C)
- 산도 계수 (pKa)
- 8.16 · 8.16±0.46(Predicted)
- 색상
- 흰색에서 황백색까지
- Merck
- 13 · 13,9190
- BRN
- 8229925 · 8229925
- Henry's Law Constant
- 6.2 · 6.2×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 주요 응용
- 농업환경
- InChI
- 1S/C14H6Cl2F4N2O2/c15-5-4-8(12(20)10(16)11(5)19)21-14(24)22-13(23)9-6(17)2-1-3-7(9)18/h1-4H,(H2,21,22,23,24)
- InChIKey
- CJDWRQLODFKPEL-UHFFFAOYSA-N
- SMILES
- Fc1cccc(F)c1C(=O)NC(=O)Nc2cc(Cl)c(F)c(Cl)c2F
- LogP
- 4.98 at · 4.98 at 20℃ and pH4.7
- EPA
- Teflubenzuron (83121-18-0)
안전 및 규제
GHS 분류
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 108 reports by companies from 3 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]
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1490/2002
Teflubenzuron is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
2009/37, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Status: Active Update: 06-12-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32806
Hazard Classes and Categories
Aquatic Acute 1 (100%)
Specific target organ toxicity - Repeated exposure - Category 1 (liver)
독성 정보
RAIS Toxicity Values
0.021
OPP
EPA Human Health Benchmarks for Pesticides
Teflubenzuron
0.021
120
General Population
Human Health Benchmarks for Pesticides - 2021 Update
안전 데이터
- wgk
- 2
- rtecs
- CV3459590
- ridadr
- 3077
- 독성
- LD50 orally in rats: >5000 mg/kg (Becher)
- 포장분류
- III
- 위험 등급
- 9
- 기존화학 물질
- KE-10107
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1STOT RE 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC CodeQP - Antiparasitic products, insecticides and repellents
용도 및 제조
Use Classification
Veterinary Drug -> INSECTICIDE; Veterinary Drug -> -> JECFA Functional Classes
Insecticides, Veterinary substances
Environmental transformation -> Pesticides (parent, predecessor)
응용 분야
용도Teflubenzuron is an benzoylphenylurea chitin synthesis inhibitor used to control a wide range of insect pests and mites in fruit, vegetable, cereal and seed crops.
상·하류 제품 정보
상류 원료
공급사50 곳
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