기본 정보
- CAS
99607-70-2- 표준 SMILES
CCCCCC(C)OC(=O)COc1ccc(Cl)c2cccnc12- InChIKey
COYBRKAVBMYYSF-UHFFFAOYSA-N- 분자식
- C18H22ClNO3
- 평균 분자량
- 335.8 g/mol
- 단동위원소 질량
- 335.12882124
개요
Heptan-2-yl [(5-chloroquinolin-8-yl)oxy]acetate is a member of the class of quinolines that is quinoline which is substituted by a chloro group at position 5 and by a 2-[(heptan-2-yl)oxy]-2-oxoethoxy group at position 8. It is a member of quinolines, a carboxylic ester, an aromatic ether and an organochlorine compound.
이름 및 식별자
- 우선 이름
- Cloquintocet-mexyl
- IUPAC
- heptan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
- 현지명
- 클로퀸토세트-멕실
- 영어명
- Cloquintocet-mexyl
- 분자식
- C18H22ClNO3
- 분자량
- 335.83
이름 및 동의어
Cloquintocet-mexyl99607-70-2DTXSID304179499W15EH2M3CGA-185072(RS)-1-methylhexyl (5-chloroquinolin-8-yloxy)acetateDTXCID1021794Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl esterAcetic acid, ((5-chloro-8-quinolinyl)oxy)-, 1-methylhexyl esterAcetic acid, 2-((5-chloro-8-quinolinyl)oxy)-, 1-methylhexyl esterRefChem:577749CHEBI:143152
이름 더 보기
클로퀸토세트-멕실Jiecao esterCrop safenerCloquintocet-1oquintocet-MexyLcloquitocet_mexylCloquintocet-methylAdagrasib Impurity 59Cloquintocet-mexyl >
619-447-3917-382-8Cloquintocet mexyl2-Heptyl 2-(5-Chloro-8-quinolinyloxy)acetatecloquintocet-1-methylhexyl esterCloquintocet-mexyl [ISO]Heptan-2-yl 2-((5-chloroquinolin-8-yl)oxy)acetateMFCD01632329
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 5.5
- 극성 표면적
- 48.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 366
실험 및 물리화학적 성질
PesticidesPesticide (Cloquintocet-mexyl) -> USDA PDB
LogP5.03
Human DrugsPharmaceuticals
Physical DescriptionOther Solid
Collision Cross Section181.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3041794]
물리화학적 성질
- 녹는점
- 69 ° · 69°
- 끓는 점
- 448.4 · 448.4±30.0 °C(Predicted)
- 밀도
- 1.163 · 1.163±0.06 g/cm3(Predicted)
- 증기압
- 0 · 0-54.4Pa at 25-185.9℃
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 클로로포름(약간 용해됨), DMSO(약간 용해됨), 에틸아세테이트(약간 용해됨)
- 산도 계수 (pKa)
- 1.94 · 1.94±0.29(Predicted)
- 물리적 상태
- Solid
- 색상
- 흰색에서 황백색까지
- Merck
- 14 · 14,2401
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H317 (83.4%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P260, P261, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 296 reports by companies from 13 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
Acetic acid, 2-[(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Acetic acid, 2-[(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Cloquintocet-mexyl is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Status: Active Update: 18-10-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14505
Cloquintocet-mexyl: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Sens. 1 (83.4%)
독성 정보
RAIS Toxicity Values
1
OPP
0.04
OPP
EPA Human Health Benchmarks for Pesticides
화학 및 산업
용도 및 제조
U.S. Production2023: 50,000 - <250,000 lb
Consumer UsesOther
Industry UsesOther
Use Classification
Safeners
Pharmaceuticals
General Manufacturing Information
Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing
Acetic acid, 2-[(5-chloro-8-quinolinyl)oxy]-, 1-methylhexyl ester: ACTIVE
응용 분야
개요Cloquintocet-mexyl is a colourless crystalline herbicide safener. It is categorized as Class III toxin.
용도Cloquintocet-mexyl is a herbicide. It is used to control coarse annual grass of the family poaceae (gramineae). lt was developed by the swiss ciba geigy in the 1980s and the patent has expired.
공급사100 곳
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湖北万得化工有限公司15377098680 15377098680 · [email protected]
南通润丰石油化工有限公司66017690 19952660367 · [email protected]
武汉欣扬瑞和化学科技有限公司
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