기본 정보
- 표준 SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(OC(F)(F)C(F)C(F)(F)F)cc1Cl- InChIKey
PWPJGUXAGUPAHP-UHFFFAOYSA-N- 분자식
- C17H8Cl2F8N2O3
- 평균 분자량
- 511.1 g/mol
- 단동위원소 질량
- 509.9784228
이름 및 식별자
- 우선 이름
- Lufenuron
- IUPAC
- N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide
- 현지명
- 루페누론
- 영어명
- Lufenuron
- 분자식
- C17H8Cl2F8N2O3
- 분자량
- 511.15
이름 및 동의어
Lufenuron103055-07-8FluphenacurLufenuroneLufenuronumDTXSID5034357Program flavor tabsPROGRAMN-((2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)carbamoyl)-2,6-difluorobenzamideCGA-1846991-(2,5-Dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl)-3-(2,6-difluorobenzoyl)ureaNSC-759097
이름 더 보기
루펜우론Lufenuron for peak identificationLufenuron 97%Lufenuron@1000 μg/mL in AcetoneLufenurincga-184,699
N-[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl]-2,6-difluorobenzamide1R754M4918DTXCID3014357CHEBI:39384N-{[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]carbamoyl}-2,6-difluorobenzamideN-({[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino}carbonyl)-2,6-difluorobenzamideN-(((2,5-DICHLORO-4-(1,1,2,3,3,3-HEXAFLUOROPROPOXY)PHENYL)AMINO)CARBONYL)-2,6-DIFLUOROBENZAMIDEProgram Suspension
데이터베이스 식별자
- CAS
103055-07-8、130841-22-4、130841-26-8- PubChem CID
- 71777
- DTXSID
DTXSID5034357- ChEMBL
CHEMBL1364906- ChEBI
CHEBI:39384- UNII
- 1R754M4918、4629851K7Q、9CR45YMS74
- EC Number
- 410-690-9
- Nikkaji
- J481.190I
물성
구조 계산 물성
- XLogP
- 6.4
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 677
실험 및 물리화학적 성질
Collision Cross Section
205.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5034357]
198.53 Ų [M+H]+ [CCS Type: TW]
209.11 Ų [M+Na]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
211.45 Ų [M+Na]+；196.94 Ų [M+H]+
물리화학적 성질
- 녹는점
- 174.1 ° · 174.1°
- 밀도
- 1.631 · 1.631±0.06 g/cm3(Predicted)
- 증기압
- 0.4 x10 · <0.4 x10 -3 Pa (25 °C)
- 인화점
- 170 °C · 170 °C
- 저장 조건
- 0 · 0-6°C
- 용해도
- 100 mg/L · 100mg/L in organic solvents at 20 ℃
- 물리적 상태
- Solid
- 수용성
- -1 · -1(25°C)
- 산도 계수 (pKa)
- 8.49 · 8.49±0.46(Predicted)
- 색상
- Off-white to light yellow
- JECFA Number
- 85 · 85
- BRN
- 8398291 · 8398291
- InChI
- 1S/C17H8Cl2F8N2O3/c18-6-5-11(32-17(26,27)14(22)16(23,24)25)7(19)4-10(6)28-15(31)29-13(30)12-8(20)2-1-3-9(12)21/h1-5,14H,(H2,28,29,30,31)
- InChIKey
- PWPJGUXAGUPAHP-UHFFFAOYSA-N
- SMILES
- FC(C(F)(F)F)C(F)(F)Oc1cc(Cl)c(NC(=O)NC(=O)c2c(F)cccc2F)cc1Cl
- LogP
- 5.12 at · 5.12 at 25℃
- EPA
- 2 · Benzamide, N-[[[2,5-dichloro-4-(1,1,2,3,3,3-hexafluoropropoxy)phenyl]amino]carbonyl]-2,6-difluoro- (103055-07-8)
안전 및 규제
GHS 분류
GHS Classification
Warning
H317: May cause an allergic skin reaction [Warning Sensitization, Skin]；H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]；H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Danger
유해성 정보
Regulatory Information
Commission Regulation (EC) No 1490/2002
2009/77/EC, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Status: Active Update: 06-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/32780；Status: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3279
Lufenuron: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Sens. 1 (100%)；Repr. 1B (32.4%)；STOT RE 1 (32.4%)；Aquatic Acute 1 (100%)；Aquatic Chronic 1 (100%)
Skin sensitisation - category 1；Hazardous to the aquatic environment (acute) - category 1；Hazardous to the aquatic environment (chronic) - category 1
Reproductive toxicity - Category 2；Specific target organ toxicity - Repeated exposure - Category 2 (liver, nervous system)
Skin sensitization - Category 1B；Hazardous to the aquatic environment (Acute) - Category 1；Hazardous to the aquatic environment (Long-term) - Category 1
Skin Sens. 1；Aquatic Acute 1；Aquatic Chronic 1
규제 정보
Regulatory Information
Commission Regulation (EC) No 1490/2002
2009/77/EC, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Status: Active Update: 06-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/32780；Status: No longer Valid Update: 10-11-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/3279
Lufenuron: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- ridadr
- 3077
- 독성
- LD50 in rats (mg/kg): >2000 orally; LC50 in rats (mg/m3): >2350 (Buholzer)
- HS 번호
- 29242990
- risk_code
- 43-50/53
- hazard_code
- Xi;N,N,Xi
- safety_code
- 2-24-37-60-61
- 포장분류
- III
- 위험 등급
- 9
- 기존화학 물질
- 97-3-422
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Skin Sens. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
ATC CodeQP - Antiparasitic products, insecticides and repellents；QP53 - Ectoparasiticides, insecticides and repellents；QP53B - Ectoparasiticides for systemic use；QP53BC - Chitin synthesis inhibitors；QP53BC01 - Lufenuron
MeSH Pharmacological ClassificationPesticides designed to control insects that are harmful to man. The insects may be directly harmful, as those acting as disease vectors, or indirectly harmful, as destroyers of crops, food products, or textile fabrics.
용도 및 제조
Use Classification
Animal Drugs -> FDA Approved Animal Drug Products (Green Book) -> Active Ingredients
Veterinary Drug -> INSECTICIDE; Veterinary Drug -> -> JECFA Functional Classes
Environmental transformation -> Pesticides (parent, predecessor)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
Veterinary substances, Acaricides, Insecticides
응용 분야
개요Lufenuron is an insect development inhibitor of the benzoylphenyl urea class. It demonstrates activity against fleas that have fed on treated cats and dogs and become exposed to lufenuron in the host’s blood. Lufenuron also has activity by virtue of its presence in adult flea feces, leading to its ingestion by flea larvae. Both activities result in the production of eggs that are unable to hatch, causing significant reductions in flea larvae populations. The lipophilicity of lufenuron leads to its deposition in adipose tissues of animals from where it is slowly released into the bloodstream. This permits effective blood concentrations to be maintained throughout the recommended oral dosing interval of 1 month.
용도Lufenuron is used for the control of Lepidoptera and Coleoptera larvae on cotton, maize and vegetables, and of citrus whitefly and rust mites on citrus fruit. It is also used to control fleas on pets and cockroaches in houses.
공급사50 곳
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