기본 정보
- CAS
1220411-29-9- 표준 SMILES
COC(=O)CCNC(=O)C(C)Sc1cc(-n2c(=O)cc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl- InChIKey
QPTPZPIXUPELRM-UHFFFAOYSA-N- 분자식
- C19H18ClF4N3O5S
- 평균 분자량
- 511.9 g/mol
- 단동위원소 질량
- 511.05918224
이름 및 식별자
- 우선 이름
- Tiafenacil
- IUPAC
- methyl 3-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]sulfanylpropanoylamino]propanoate
- 영어명
- Tiafenacil
- 분자식
- C19H18ClF4N3O5S
- 분자량
- 511.87
이름 및 동의어
Tiafenacil1220411-29-96LL8M8V4YBDTXSID20873394RefChem:189926DTXCID20889374Tiafenacil [ISO]methyl 3-[2-[2-chloro-4-fluoro-5-[3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1-yl]phenyl]sulfanylpropanoylamino]propanoateMethyl 3-(2-((2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)phenyl)thio)propanamido)propanoateMethyl 3-(((2RS)-2-((2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)-4-fluorophenyl)thio)propanoyl)amino)propanoateMethyl 3-((2RS)-2-((2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)pyrimidin-1(2H)-yl)-4-fluorophenyl)thio)propionamido)propionateMethyl RAC-3-((2R)-2-((2-chloro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-3,6-dihydropyrimidin-1(2H)-yl)-4-fluorophenyl)sulfanyl)propanamido)propanoate
이름 더 보기
Tiafenacil 100 μg/mL in Acetonitrilemethyl 3-(2-((2-chloro-4-fluoro-5-(3-methyl-2,6-dioxo-4-(trifluoromethyl)-2,3-dihydropyrimidin-1(6H)-yl)phenyl)thio)propanamido)propanoateβ-Alanine, N-[2-[[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl]thio]-1-oxopropyl]-, methyl ester
.BETA.-ALANINE, N-(2-((2-CHLORO-5-(3,6-DIHYDRO-3-METHYL-2,6-DIOXO-4-(TRIFLUOROMETHYL)-1(2H)-PYRIMIDINYL)-4-FLUOROPHENYL)THIO)-1-OXOPROPYL)-, METHYL ESTER.beta.-Alanine, N-[2-[[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl]thio]-1-oxopropyl]-, methyl esterbeta-Alanine, N-(2-((2-chloro-5-(3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl)-4-fluorophenyl)thio)-1-oxopropyl)-, methyl esterbeta-Alanine, N-[2-[[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl]thio]-1-oxopropyl]-, methyl esterss-Alanine, N-[2-[[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl]thio]-1-oxopropyl]-, methyl ester; Tiafenacilstarbld0010392UNII-6LL8M8V4YBC19H18ClF4N3O5S
데이터베이스 식별자
- CAS
1220411-29-9- PubChem CID
- 67295585
- DTXSID
DTXSID20873394- UNII
- 6LL8M8V4YB
- EC Number
- 868-172-7
- Nikkaji
- J3.735.885A
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 828
물리화학적 성질
- 녹는점
- 122 · 122 - 125°C
- 밀도
- 1.52 · 1.52±0.1 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- 에 용해됨클로로포름, 메탄올 (약간 용해됨)
- 산도 계수 (pKa)
- 13.75 · 13.75±0.46(Predicted)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
- EPA
- 2 · .beta.-Alanine, N-[2-[[2-chloro-5-[3,6-dihydro-3-methyl-2,6-dioxo-4-(trifluoromethyl)-1(2H)-pyrimidinyl]-4-fluorophenyl]thio]-1-oxopropyl]-, methyl ester (1220411-29-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P273, P319, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 28 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationTiafenacil is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)
Hazard Classes and CategoriesSTOT RE 2 (100%)
독성 정보
RAIS Toxicity Values
0.01
OPP
EPA Human Health Benchmarks for Pesticides
Tiafenacil
0.01
60
General Population
Human Health Benchmarks for Pesticides - 2021 Update
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H373
화학 및 산업
응용 분야
용도Tiafenacil is a uracil herbicide used as a pesticide for the prevention and control of plants.
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