기본 정보
- CAS
77501-90-7- 표준 SMILES
CCOC(=O)COC(=O)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
IPPAUTOBDWNELX-UHFFFAOYSA-N- 분자식
- C18H13ClF3NO7
- 평균 분자량
- 447.7 g/mol
- 단동위원소 질량
- 447.0332639
개요
Fluoroglycofen-ethyl is the ethyl ester of fluoroglycofen. It is a herbicide used for the control of broad-leaf weeds and grasses. The herbicide acts by inhibiting the enzyme protoporphyrinogen oxidase, leading to the damage of cell membranes. It has a role as a herbicide and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an ethyl ester, an aromatic ether, a C-nitro compound, a benzoate ester, a member of monochlorobenzenes and a member of (trifluoromethyl)benzenes. It is functionally related to a fluoroglycofen.
이름 및 식별자
- 우선 이름
- Fluoroglycofen-ethyl
- IUPAC
- (2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
- 영어명
- Fluoroglycofen-ethyl
- 분자식
- C18H13ClF3NO7
- 분자량
- 447.75
이름 및 동의어
Fluoroglycofen-ethyl77501-90-7Fluoroglycofen ethyl esterCompeteRH-0265Fluoroglycofen ethylSIMTARDTXSID00419830RCH0H6C4NBenzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-ethoxy-2-oxoethyl esterRH 0265DTXCID8021983
이름 더 보기
fluoroglycofenbas9106hlglycolatesuperblazerCompete(TM)FluroglycofenFluoroglyofene
RefChem:140943616-467-4Super blazerFluoroglycofen-ethyl [ISO]BAS 9106 H(2-ethoxy-2-oxoethyl) 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoateBenzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, ester with ethyl glycolateBenzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-,2-ethoxy-2-oxoethyl ester
데이터베이스 식별자
- CAS
77501-90-7- PubChem CID
- 53672
- DTXSID
DTXSID0041983- ChEMBL
CHEMBL3185853- ChEBI
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 108 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 628
실험 및 물리화학적 성질
LogP3.65
Collision Cross Section210.7 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID0041983]
물리화학적 성질
- 녹는점
- 65 °C · 65 °C
- 끓는 점
- 487.7 · 487.7±45.0 °C(Predicted)
- 밀도
- 1.4996 · 1.4996 (estimate)
- 저장 조건
- -20 °C · Hygroscopic, -20°C Freezer, Under inert atmosphere
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 옅은 노란색에서 밝은 베이지색까지
- 수용성
- 604 ug/L · 604ug/L(온도 미표시)
- InChI
- InChI=1S/C18H13ClF3NO7/c1-2-28-16(24)9-29-17(25)12-8-11(4-5-14(12)23(26)27)30-15-6-3-10(7-13(15)19)18(20,21)22/h3-8H,2,9H2,1H3
- InChIKey
- IPPAUTOBDWNELX-UHFFFAOYSA-N
- SMILES
- C(OCC(OCC)=O)(=O)C1=CC(OC2=CC=C(C(F)(F)F)C=C2Cl)=CC=C1[N+]([O-])=O
- NIST
- Fluoroglycofen ethyl ester(77501-90-7)
- EPA
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
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- rtecs
- DG5643100
- HS 번호
- 29189900
- risk_code
- 22-52/53
- hazard_code
- Xn
- safety_code
- 61
화학 및 산업
응용 분야
용도Fluoroglycofen-ethyl can be used in biological study and agricultural use of pesticide for removing root of Alternanthera philoxeroides.
공급사54 곳
湖北万得化工有限公司15377098680 15377098680 · [email protected]
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
Alchemie Shanghai Co.,Ltd.+86-15921545397 · [email protected]
Qingdao Trust Agri Chemical Co.,Ltd+86-008615963231493 +86-008613573296305 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
北京欣恒研科技有限公司010-56034419 13426091577
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
湖北魏氏化学试剂股份有限公司027-59102966 18717199209 · [email protected]
医恩医疗系统研发（上海）有限公司021-58958002 18930822973 · [email protected]
上海毕楷科技有限公司18516304666
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