기본 정보
- CAS
87237-48-7- 표준 SMILES
CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1- InChIKey
MIJLZGZLQLAQCM-UHFFFAOYSA-N- 분자식
- C19H19ClF3NO5
- 평균 분자량
- 433.8 g/mol
- 단동위원소 질량
- 433.0903849
개요
2-ethoxyethyl 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate is a carboxylic ester that is the resulting from the formal condensation of the carboxy group of 2-(4-{[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of 2-ethoxyethanol. It is a member of pyridines, a carboxylic ester, 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 and a 2-ethoxyethanol.
이름 및 식별자
- 우선 이름
- Haloxyfop-etotyl
- IUPAC
- 2-ethoxyethyl 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]propanoate
- 현지명
- 할록시포테틸
- 영어명
- Haloxyfop-etotyl
- 분자식
- C19H19ClF3NO5
- 분자량
- 433.81
이름 및 동의어
Haloxyfop-etotyl87237-48-7GallantZellekHaloxyfop-ethoxyethylGallant 125EEHaloxyfop ethoxyethyl esterHaloxyfop-(2-ethoxyethyl)Dowco 453EEHaloxyfop-etotyl [BSI:ISO]5R94XN1YLD2-Ethoxyethyl 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)propanoate
이름 더 보기
할록시포테틸HALOXYFOP-2-ETHOXYETHYLVerdictdowco453eeDowco 453-MEHaloxyfop Impurity 1
2-Ethoxyethyl 2-(4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy)propionateHALOXYFOP-ETOTYL [ISO]DTXSID9058492EC 402-560-5Propanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, esterPropanoic acid, 2-(4-((3-chloro-5-(trifluoromethyl)-2-pyridinyl)oxy)phenoxy)-, 2-ethoxyethyl esterpropanoic acid, 2-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-, 2-ethoxyethyl ester2-ethoxyethyl (RS)-2-{4-[3-chloro-5-(trifluoromethyl)-2-pyridyloxy]phenoxy}propionate
데이터베이스 식별자
- CAS
87237-48-7- PubChem CID
- 91743
물성
구조 계산 물성
- XLogP
- 4.7
- 극성 표면적
- 66.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 503
실험 및 물리화학적 성질
PFASPFAS -> PFAS identified in REACH Regulation EC No. 1272/2008
LogP4.33
Collision Cross Section
193.53 Ų [M+H]+ [CCS Type: TW]
188.7 Ų [M+H]+
물리화학적 성질
- 녹는점
- 60 °C · 60°C
- 끓는 점
- 463.4 · 463.4±45.0 °C(Predicted)
- 밀도
- 1.34 · 1.3400
- 인화점
- 100 °C · >100 °C
- 산도 계수 (pKa)
- -1.53 · -1.53±0.32(Predicted)
- BRN
- 8397167 · 8397167
- Henry's Law Constant
- 3.8 · 3.8×104 mol/(m3Pa) at 25℃, Ebert et al. (2023)
- 주요 응용
- 농업환경
- InChI
- 1S/C19H19ClF3NO5/c1-3-26-8-9-27-18(25)12(2)28-14-4-6-15(7-5-14)29-17-16(20)10-13(11-24-17)19(21,22)23/h4-7,10-12H,3,8-9H2,1-2H3
- InChIKey
- MIJLZGZLQLAQCM-UHFFFAOYSA-N
- SMILES
- CCOCCOC(=O)C(C)Oc1ccc(Oc2ncc(cc2Cl)C(F)(F)F)cc1
- NIST
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
유해성 정보
Regulatory InformationREACH registered substance: 2-ethoxyethyl 2-(4-(3-chloro-5-trifluoromethyl-2-pyridyloxy)phenoxy)propionate (EC: 402-560-5)
Hazard Classes and Categories
Acute Tox. 4 (100%)
Acute Tox. 4 (100%)
Acute toxicity - category 4
Acute Tox. 4 *
안전 데이터
- wgk
- 3
- rtecs
- UA2458260
- ridadr
- UN3077 9/PG 3
- risk_code
- 22-50/53
- hazard_code
- Xn,N
- safety_code
- 22-36-60-61
- Hazard Classifications
- Acute Tox. 4 OralAquatic Acute 1Aquatic Chronic 1
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
공급사36 곳
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
北京海岸鸿蒙标准物质技术有限责任公司13240431552 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
南京毕科生物科技有限公司025-58906079 15151970915 · [email protected]
天津阿尔塔科技有限公司022-65378550-8551 · [email protected]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海岚克医药科技发展有限公司0086-21-58956006
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…