기본 정보
- 표준 SMILES
COC(=O)c1cc(Cl)ccc1NS(=O)(=O)C(F)(F)F- InChIKey
KBHDSWIXRODKSZ-UHFFFAOYSA-N- 분자식
- C9H7ClF3NO4S
- 평균 분자량
- 317.67 g/mol
- 단동위원소 질량
- 316.9736411
이름 및 식별자
- 우선 이름
- Amidoflumet
- IUPAC
- methyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoate
- 현지명
- 메틸5-클로로-2-(트리플루오로메틸술포나미도)벤조에이트
- 영어명
- Methyl 5-chloro-2-(trifluoroMethylsulfonaMido)benzoate
- 분자식
- C9H7ClF3NO4S
- 분자량
- 317.67
이름 및 동의어
Amidoflumet84466-05-7Amidoflumet [ISO]DTXSID9057842Amidoflumet (JAN)N8D88V49HDAMIDOFLUMET [JAN]DTXCID00316312-(TRIFLUOROMETHYLSULFONYLAMINO)-5-CHLOROBENZOIC ACID METHYL ESTER5-CHLORO-2-(TRIFLUOROMETHYLSULFONYLAMINO)BENZOIC ACID METHYL ESTERMETHYL 5-CHLORO-2-(((TRIFLUOROMETHYL)SULFONYL)AMINO)BENZOATERefChem:557162
이름 더 보기
메틸5-클로로-2-(트리플루오로메틸술포나미도)벤조에이트Methyl 5-chloro-2-{[(trifluoromethyl)sulfonyl]amino}benzoate5-Chloro-2-{[(trifluoromethyl)sulfonyl]amino}benzoic acid methyl esterBenzoic acid, 5-chloro-2-[[(trifluoromethyl)sulfonyl]amino]-, methyl ester
Methyl 5-chloro-2-trifluoromethanesulfonylaminobenzoateMethyl 5-chloro-2-(trifluoromethylsulfonamido)benzoateMethyl 5-chloro-2-(trifluoromethylsulfonylamino)benzoateMFCD24386405UNII-N8D88V49HDSCHEMBL27241CHEMBL3182926methyl 5-chloro-2-(trifluoromethanesulfonamido)benzoate
데이터베이스 식별자
- CAS
84466-05-7- PubChem CID
- 9861780
- DTXSID
DTXSID9057842- ChEMBL
CHEMBL3182926- UNII
- N8D88V49HD
- EC Number
- 804-574-0
- Nikkaji
- J1.646.060E
물성
구조 계산 물성
- XLogP
- 3.7
- 극성 표면적
- 80.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 434
물리화학적 성질
- 녹는점
- 80.7 °C · 80.7 °C
- 끓는 점
- 348.3 · 348.3±52.0 °C(Predicted)
- 밀도
- 1.619 · 1.619±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.92 · 2.92±0.10(Predicted)
- 주요 응용
- 농업환경
- InChI
- 1S/C9H7ClF3NO4S/c1-18-8(15)6-4-5(10)2-3-7(6)14-19(16,17)9(11,12)13/h2-4,14H,1H3
- InChIKey
- KBHDSWIXRODKSZ-UHFFFAOYSA-N
- SMILES
- CS(=O)(=O)Nc1ccc(Cl)cc1C(=O)OC(F)(F)F
안전 및 규제
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]；H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)；Aquatic Chronic 2 (100%)
안전 데이터
- wgk
- 3
- ridadr
- UN2811 - class 6.1 - PG 3 - EHS - Toxic solids, organic, n.o.s., HI: all
- risk_code
- 25-51/53
- hazard_code
- T,N
- safety_code
- 45-61
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 2
- 스토리지 클래스
- 6.1D - Non-combustible acute toxic Cat.3toxic hazardous materials or hazardous materials causing chronic effects
화학 및 산업
응용 분야
일반 설명Miticide for house dust mites
공급사6 곳
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
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
西安速加医药科技有限公司029-86115547 17791676824 · [email protected]
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