기본 정보
- 표준 SMILES
O=C(NC(=O)c1c(F)cccc1F)Nc1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1- InChIKey
UISUNVFOGSJSKD-UHFFFAOYSA-N- 분자식
- C20H9Cl3F5N3O3
- 평균 분자량
- 540.6 g/mol
- 단동위원소 질량
- 538.962965
이름 및 식별자
- 우선 이름
- Chlorfluazuron
- IUPAC
- N-[[3,5-dichloro-4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]carbamoyl]-2,6-difluorobenzamide
- 현지명
- 클로르플루아주론
- 영어명
- Chlorfluazuron
- 분자식
- C20H9Cl3F5N3O3
- 분자량
- 540.66
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
71422-67-8- PubChem CID
- 91708
- DTXSID
DTXSID5041772- ChEMBL
CHEMBL2251411- ChEBI
CHEBI:39370- UNII
- Q42JG8449K
- EC Number
- 615-292-0
- Nikkaji
- J120.379G
물성
구조 계산 물성
- XLogP
- 6.7
- 극성 표면적
- 80.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 715
실험 및 물리화학적 성질
Collision Cross Section
224.4 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID5041772];221.8 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5041772];225.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID5041772]
물리화학적 성질
- 녹는점
- 220 ℃ · approximate 220℃
- 밀도
- 1.5919 · 1.5919 (estimate)
- 증기압
- -5 mPa · -5 mPa (20 °C)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 산도 계수 (pKa)
- 8.1 · 8.10 (acid)
- 수용성
- -1 · -1(20°C)
- BRN
- 8369967 · 8369967
- Henry's Law Constant
- 8.2 · 8.2×106 mol/(m3Pa) at 25℃, Keshavarz et al. (2022)
- 주요 응용
- 농업환경
- InChI
- InChI=1S/C20H9Cl3F5N3O3/c21-10-5-9(30-19(33)31-17(32)15-13(24)2-1-3-14(15)25)6-11(22)16(10)34-18-12(23)4-8(7-29-18)20(26,27)28/h1-7H,(H2,30,31,32,33)
- InChIKey
- UISUNVFOGSJSKD-UHFFFAOYSA-N
- SMILES
- C(NC(NC1=CC(Cl)=C(OC2=NC=C(C(F)(F)F)C=C2Cl)C(Cl)=C1)=O)(=O)C1=C(F)C=CC=C1F
- EPA
- Chlorfluazuron (71422-67-8)
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 58.6% (41 of 70) of all reports.
Warning
H319 (41.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation];H400 (41.4%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard];H410 (41.4%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 70 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.;Reported as not meeting GHS hazard criteria per 41 of 70 reports by companies.;There are 2 notifications provided by 29 of 70 reports by companies with hazard statement code(s).;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
규제 정보
안전 데이터
- wgk
- 3
- rtecs
- CV3459580
- ridadr
- 3077
- 포장분류
- III
- 위험 등급
- 9
- 기존화학 물질
- 97-3-328
- Hazard Classifications
- Aquatic Acute 1Aquatic Chronic 1Eye Irrit. 2
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
용도Chlorfluazuron is benzoyl(pyridiyloxyphenyl)urea based pesticide that acts as a chitin synthesis inhibitor. Chlorfluazuron is commonly used in agriculture as an insect growth regulator for controlling the major insect pests in crops
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