기본 정보
- CAS
69806-40-2- 표준 SMILES
COC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1- InChIKey
MFSWTRQUCLNFOM-UHFFFAOYSA-N- 분자식
- C16H13ClF3NO4
- 평균 분자량
- 375.72 g/mol
- 단동위원소 질량
- 375.04852024
개요
Methyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate is the methyl ester of 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid. It is a methyl ester, a member of pyridines, an aromatic ether, an organochlorine compound and an organofluorine compound. It is functionally related to a 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid.
이름 및 식별자
- 우선 이름
- Haloxyfop-methyl
- IUPAC
- methyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
- 현지명
- 할옥시포프-메틸
- 영어명
- Methyl 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoate
- 분자식
- C16H13ClF3NO4
- 분자량
- 375.73
이름 및 동의어
HALOXYFOP-METHYL69806-40-2Haloxyfop methyl esterVerdictDowco 453MEDowco 453Haloxyfop methyl ester [ANSI]DTXSID6024123Methyl 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoateHaloxyfop-methyl [BSI:ISO]BRN 1509615HALOXYFOP-ME
이름 더 보기
할옥시포프-메틸할옥시포프-메틸(HALOXYFOP-METHYL)Methyl 2-(4-((3-chloR-(+)-haloxyfop-MethylHaloxyfop-methyl in MethanolHaloxyfop-R-methyl in MethanolHALOXYFOP-METHYL PESTANAL, 250 MGHaloxyfop methyl ester (Standard)Haloxyfop-methyl Solution, 1000ppmHaloxyfop-methyl @100 μg/mL in MeOH
6HO742968Bmethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridyl]oxy]phenoxy]propanoateHALOXYFOP-METHYL [ISO]DTXCID4041232-(4-((3-Chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoic acid methyl esterPropanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, methyl esterHaloxyfop methyl ester (ANSI)Propanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, methyl ester
물성
구조 계산 물성
- XLogP
- 4.5
- 극성 표면적
- 57.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 444
실험 및 물리화학적 성질
Pesticides
Pesticide -> EPA IRIS
Herbicides
LogP4.07
Collision Cross Section185.6 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID6024123]
물리화학적 성질
- 녹는점
- 55 · 55-57°C
- 끓는 점
- 390.8 · 390.8±42.0 °C(Predicted)
- 밀도
- 1.4076 · 1.4076 (estimate)
- 인화점
- 100 °C · >100 °C
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- -1.52 · -1.52±0.32(Predicted)
- 색상
- White to off-white
- BRN
- 1509615 · 1509615
- Henry's Law Constant
- 3.1 · 3.1×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- 주요 응용
- 농업환경
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationHaloxyfop methyl ester: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
독성 정보
Target OrgansReproductive
EPA IRIS Information
Haloxyfop-methyl
Reproductive
5 x 10 ^-5 mg/kg-day
RAIS Toxicity Values
5e-05
IRIS Current
Hazard Quotient Level 0.1 or Cancer Risk Level 1E-06
3.20e+00
4.10e+01
7.60e-01
7.00e+02
8.40e-03
5e-05
Hazard Quotient Level 3 or Cancer Risk Level 1E-04
9.50e+00
1.20e+02
2.30e+00
7.00e+02
5e-05
Volatile
안전 데이터
화학 및 산업
용도 및 제조
Use ClassificationHerbicides
응용 분야
용도Haloxyfop-methyl is a herbicide used for selective post-emergence control of annual and perennial grasses in broadleaf crops.
상·하류 제품 정보
상류 원료
하류 제품
공급사58 곳
韶远科技(上海)有限公司4000665055 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广州佳途科技股份有限公司
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