기본 정보
- 표준 SMILES
O=C(NC(=O)c1ccccc1Cl)Nc1ccc(OC(F)(F)F)cc1- InChIKey
XAIPTRIXGHTTNT-UHFFFAOYSA-N- 분자식
- C15H10ClF3N2O3
- 평균 분자량
- 358.7 g/mol
- 단동위원소 질량
- 358.0332044
이름 및 식별자
- 우선 이름
- Triflumuron
- IUPAC
- 2-chloro-N-[[4-(trifluoromethoxy)phenyl]carbamoyl]benzamide
- 영어명
- Triflumuron
- 분자식
- C15H10ClF3N2O3
- 분자량
- 358.7
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
64628-44-0- PubChem CID
- 47445
- DTXSID
DTXSID5034355- ChEMBL
CHEMBL1394379- ChEBI
CHEBI:39388- UNII
- 3FT64DYG8K
- EC Number
- 264-980-3
- Nikkaji
- J20.690C
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 67.4 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 454
실험 및 물리화학적 성질
Collision Cross Section
179.1 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5034355];186.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5034355]
169.88 Ų [M+H]+ [CCS Type: TW]
물리화학적 성질
- 녹는점
- 198 ℃ · 198℃
- 밀도
- 1.475 · 1.475±0.06 g/cm3(Predicted)
- 증기압
- 0 Pa · 0Pa at 20℃
- 저장 조건
- 0 · 0-6°C
- 용해도
- DMF에 용해됨
- 산도 계수 (pKa)
- 9.79 · 9.79±0.46(Predicted)
- 물리적 상태
- Solid
- 색상
- White to off-white
- 수용성
- 40 μg/L · 40μg/L at 20℃
- BRN
- 2776684 · 2776684
- Henry's Law Constant
- 1.1 · 1.1×103 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- 주요 응용
- 농업환경
- InChI
- 1S/C15H10ClF3N2O3/c16-12-4-2-1-3-11(12)13(22)21-14(23)20-9-5-7-10(8-6-9)24-15(17,18)19/h1-8H,(H2,20,21,22,23)
- InChIKey
- XAIPTRIXGHTTNT-UHFFFAOYSA-N
- SMILES
- FC(F)(F)Oc1ccc(NC(=O)NC(=O)c2ccccc2Cl)cc1
- LogP
- 4.68 at · 4.68 at 25℃
- EPA
- Triflumuron (64628-44-0)
화학적 성질
White Solid
안전 및 규제
GHS 분류
GHS Classification
Danger
H330 (56.5%): Fatal if inhaled [Danger Acute toxicity, inhalation];H400 (43.5%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (43.5%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P260, P271, P273, P284, P304+P340, P316, P320, P391, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 69 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Regulatory Information
Commission Regulation (EC) No 33/2008
2011/23/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33074
Triflumuron: Does not have an individual approval but may be used under an appropriate group standard
규제 정보
Regulatory Information
Commission Regulation (EC) No 33/2008
2011/23/EU, Reg. (EU) 2022/801, Reg. (EU) No 540/2011
Status: Active Update: 09-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33074
Triflumuron: Does not have an individual approval but may be used under an appropriate group standard
안전 데이터
- wgk
- 2
- rtecs
- CV2474000
- 독성
- LD50 in rats, mice (mg/kg): >5000, >5000 i.p., s.c., orally (Zoebelein)
- safety_code
- 22-24/25
- 기존화학 물질
- KE-05929
- Hazard Classifications
- Acute Tox. 2 Inhalation
- 스토리지 클래스
- 6.1A - Combustible acute toxic Cat. 1 and 2very toxic hazardous materials
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds that cause reproductive sterility in organisms. They are sometimes used to control pest populations by sterilizing males within the population.
Pesticides 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.
응용 분야
개요Triflumuron, a benzoylphenyl urea compound, is an insect development inhibitor that inhibits the synthesis of chitin. It is formulated as an off-shears pour-on lousicide for control of the sheep body louse Bovicola ovis.
용도Triflumuron is a benzoylphenylurea insecticide. Triflumuron is a chitin synthesis inhibitor used to control insects pests such as mosquitos and flies.
상·하류 제품 정보
상류 원료
공급사50 곳
관련 반응
연결된 노트
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