기본 정보
- CAS
69806-34-4- 표준 SMILES
CC(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)C(=O)O- InChIKey
GOCUAJYOYBLQRH-UHFFFAOYSA-N- 분자식
- C15H11ClF3NO4
- 평균 분자량
- 361.7 g/mol
- 단동위원소 질량
- 361.03287017
개요
2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid is a monocarboxylic acid that is 2-phenoxypropanoic acid in which the hydrogen at the para position of the phenyl ring has been replaced by a [3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy group. It is a monocarboxylic acid, a member of pyridines, an aromatic ether, an organochlorine compound and an organofluorine compound.
이름 및 식별자
- 우선 이름
- Haloxyfop
- IUPAC
- 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoic acid
- 영어명
- 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acid
- 분자식
- C15H11ClF3NO4
- 분자량
- 361.7
이름 및 동의어
HALOXYFOP69806-34-4Haloxyfop AcidDTXSID70420192-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propanoic acid24TYO6H90HDTXCID5022019(RS)-2-(4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy)propionic acid2-(4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acidPropanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-(RS)-2-[4-(3-Chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy]propionic acid
이름 더 보기
DOWCO453AI3-27257Halossifop(±)-HaloxyfopHaloxyfop (freUNII-7O9EWV477RHALOXYFOP PESTANAL,2-[4-[3-chloro-5-(tr
2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridyl)oxy)phenoxy)propanoic acidRefChem:783375CHEBI:3652-(4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)oxy)phenoxy)propanoic acid(+/-)-Haloxyfop2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxyphenoxy]propanoic acidHaloxyfop [ANSI:BSI:ISO]Haloxyfop (free acid)
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 68.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 24
- 형식 전하
- 0
- 복잡도
- 429
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Herbicides, Transformation products
Pesticide (Haloxyfop) -> USDA PDB
Collision Cross Section
190.0 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID7042019]
179.86 Ų [M+H]+ [CCS Type: TW]
물리화학적 성질
- 녹는점
- 107.5 °C · 107.5 °C
- 끓는 점
- 420.3 · 420.3±45.0 °C(Predicted)
- 밀도
- 1.442 · 1.442±0.06 g/cm3(Predicted)
- 저장 조건
- 0 · 0-6°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (276.47 mM; Need ultrasonic)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 3.12 · 3.12±0.10(Predicted)
- 색상
- White to off-white
- BRN
- 1507817 · 1507817
- 주요 응용
- 농업환경
- InChI
- 1S/C15H11ClF3NO4/c1-8(14(21)22)23-10-2-4-11(5-3-10)24-13-12(16)6-9(7-20-13)15(17,18)19/h2-8H,1H3,(H,21,22)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P273, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 100 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
2002/2076
Haloxyfop: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- UA2458284
- HS 번호
- 29333990
- Hazard Classifications
- Acute Tox. 4 OralAquatic Chronic 3Eye Dam. 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
용도 및 제조
Use ClassificationHerbicides, Transformation products
응용 분야
용도(±)-Haloxyfop is a herbicide.
상·하류 제품 정보
상류 원료
공급사60 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
Syntechem Co.,Ltd[email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
阜新四维卤化物有限公司0418-2260776 · [email protected]
United Life Science020-82099279 18988968278 · [email protected]
銳迪國際科技有限公司18024082417 · [email protected]
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