기본 정보
- CAS
73250-68-7- 표준 SMILES
CN(C(=O)COc1nc2ccccc2s1)c1ccccc1- InChIKey
XIGAUIHYSDTJHW-UHFFFAOYSA-N- 분자식
- C16H14N2O2S
- 평균 분자량
- 298.4 g/mol
- 단동위원소 질량
- 298.07759887
개요
Mefenacet is a member of the class of benzothiazoles that is 1,3-benzothiazole which is substituted at position 2 by a 2-[methyl(phenyl)amino]-2-oxoethoxy group. An antimitotic, it is used for the control of grass weeds in rice. Not approved for use in the European Union. It has a role as a herbicide and an antimitotic. It is a tertiary carboxamide and a member of benzothiazoles.
이름 및 식별자
- 우선 이름
- 2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide
- IUPAC
- 2-(1,3-benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide
- 현지명
- 메페나셋
- 영어명
- Mefenacet
- 분자식
- C16H14N2O2S
- 분자량
- 298.36
이름 및 동의어
Mefenacet73250-68-7ranchoHINOCHLOA2-(2-Benzothiazolyloxy)-N-methyl-N-phenylacetamide2-(1,3-Benzothiazol-2-yloxy)-N-methylacetanilideQI0QTA02DGDEFANACETNTN-801FOE-1976DTXSID70581732-(2-benzothiazolyl-oxy)-N-methyl-N-phenylacetamide
이름 더 보기
2-(2-벤조싸이아졸일옥시)-N-메틸-N-페닐-아세트아마이드메페나셋mefenaceBATLntn801foe1976MEFENAETMEFANACETMetfenacet
RefChem:810844DTXCID3031941277-328-82-(Benzo[d]thiazol-2-yloxy)-N-methyl-N-phenylacetamide2-(1,3-Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamide2-(Benzothiazol-2-yloxy)-N-methyl-N-phenylacetamideBTMPA; FOE 1976;NTN 801; RanchoMefenacet [BSI:ISO]
데이터베이스 식별자
- CAS
73250-68-7- PubChem CID
- 91716
- DTXSID
DTXSID7058173- ChEMBL
CHEMBL1592324- ChEBI
CHEBI:34830- UNII
- QI0QTA02DG
- EC Number
- 277-328-8
- Nikkaji
- J133.202C
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 70.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 360
실험 및 물리화학적 성질
Pesticides
Herbicides
Active substance -> EU Pesticides database: Not approved
Pesticide (Mefenacet) -> USDA PDB
LogP3.23
물리화학적 성질
- 녹는점
- 134.8 ° · 134.8°
- 끓는 점
- 441 · 441.0±47.0 °C(Predicted)
- 밀도
- 1.2361 · 1.2361 (rough estimate)
- 굴절률
- 1.6 · 1.6000 (estimate)
- 인화점
- 100 °C · >100 °C
- 저장 조건
- 0 · 0-6°C
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 산도 계수 (pKa)
- 1.53 · 1.53±0.10(Predicted)
- BRN
- 1143987 · 1143987
- Henry's Law Constant
- 2.1 · 2.1×104 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
- InChI
- InChI=1S/C16H14N2O2S/c1-18(12-7-3-2-4-8-12)15(19)11-20-16-17-13-9-5-6-10-14(13)21-16/h2-10H,11H2,1H3
- InChIKey
- XIGAUIHYSDTJHW-UHFFFAOYSA-N
- SMILES
- O(C1SC2=CC=CC=C2N=1)CC(=O)N(C1C=CC=CC=1)C
- NIST
- Mefenacet(73250-68-7)
- EPA
- Mefenacet (73250-68-7)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 81 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
유해성 정보
Regulatory Information2002/2076
Hazard Classes and Categories
Aquatic Chronic 2 (100%)
Hazardous to the aquatic environment (chronic) - category 2
Reproductive toxicity - Category 2
Aquatic Chronic 2
안전 데이터
- wgk
- 2
- rtecs
- AB4542550
- ridadr
- UN 3077
- 독성
- LD50 in rats, mice (mg/kg): >5000, >5000 orally; >1000, >1000 s.c.; >5000, >5000 dermally; LC50 (4 hr) in rats: 134 mg/m3 (Schmidt)
- HS 번호
- 29342000
- risk_code
- 51/53
- hazard_code
- N
- safety_code
- 61
- 기존화학 물질
- KE-02729
화학 및 산업
응용 분야
용도Mefenacet is an acetanilide herbicide which is used for pre- and post emergence control of annual weeds in paddy oil. Mefenacet has been widely used and repeated in Asian countries and is frequently d etected in river or lake water.
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상류 원료
하류 제품
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