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3-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)-1H-pyrazole-4-carboxamide

HCID 56933411
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기본 정보개요이름 및 식별자물성안전 및 규제관련 반응화합물 노트
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기본 정보

CAS
1228284-64-7
표준 SMILES
CON(C(=O)c1cn(C)nc1C(F)F)C(C)Cc1c(Cl)cc(Cl)cc1Cl
InChIKey
DGOAXBPOVUPPEB-UHFFFAOYSA-N
분자식
C16H16Cl3F2N3O2
평균 분자량
426.7 g/mol
단동위원소 질량
425.02761623

개요

3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide is a monocarboxylic acid amide obtained by formal condensation of the carboxy group of 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid with the amino group of N-methoxy-1-(2,4,6-trichlorophenyl)propan-2-amine. It is a member of pyrazoles, a trichlorobenzene, a monocarboxylic acid amide, an organofluorine compound and an aromatic amide.

이름 및 식별자

우선 이름
3-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)-1H-pyrazole-4-carboxamide
IUPAC
3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide

이름 및 동의어

Pydiflumetofen1228284-64-73-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)-1H-pyrazole-4-carboxamideWHG7I49FAKDTXSID608948261H-Pyrazole-4-carboxamide, 3-(difluoromethyl)-N-methoxy-1-methyl-N-(1-methyl-2-(2,4,6-trichlorophenyl)ethyl)-RefChem:870387CHEBI:87569DTXCID901324393817-852-1N-methoxy-N-(1-methyl-2-(2,4,6-trichlorophenyl)-ethyl)-3-(difluoromethyl)-1-methylpyrazole-4-carboxamide; pydiflumetofen3-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]pyrazole-4-carboxamide
이름 더 보기
MFCD317189363-(difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide3-(Difluoromethyl)-N-methoxy-1-methyl-N-(1-(2,4,6-trichlorophenyl)propan-2-yl)-1H-pyrazole-4-carboxamideUNII-WHG7I49FAKAdepidyn3-(Difluoromethyl)-N-methoxy-1-methyl-N-[1-methyl-2-(2,4,6-trichlorophenyl)ethyl]-1H-pyrazole-4-carboxamide; 3-(Difluoromethyl)-N-methoxy-1-methyl-N-[1-(2,4,6-trichlorophenyl)propan-2-yl]-1H-pyrazole-4-carboxamide; Adepidyn; PydiflumetofenPYDIFLUMETOFEN [ISO]SCHEMBL621538

물성

구조 계산 물성

XLogP
4.7
극성 표면적
47.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
6
무거운 원자 수
26
형식 전하
0
복잡도
480

실험 및 물리화학적 성질

Pesticides · 3건

Fungicides

Active substance -> EU Pesticides database: Pending

Pesticide (Pydiflumetofen) -> USDA PDB

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

GHS 분류

GHS Classification · 6건

Warning

H351: Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

Warning

H351 (63%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)

유해성 정보

Regulatory Information · 2건

Regulation (EC) No 1107/2009 (amended)

Pydiflumetofen is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)

Hazard Classes and Categories · 2건

Carc. 2 (63%)

Carc. 2

독성 정보

RAIS Toxicity Values · 4건

1

OPP

0.092

OPP

EPA Human Health Benchmarks for Pesticides · 6건

Pydiflumetofen

1

7000

Children

0.092

540

관련 반응

5건
반응 기록 만들기
HRID 107613 반응식
HRID 107613생성물로Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID 2170303 반응식
HRID 2170303생성물로uspto-grants-2015_06
HRID 2170304 반응식
HRID 2170304생성물로uspto-grants-2015_06
HRID 2170305 반응식
HRID 2170305생성물로uspto-grants-2015_06
HRID 2381251 반응식
HRID 2381251생성물로uspto-grants-2012_09

화합물 노트

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데이터베이스 식별자

CAS
1228284-64-7
PubChem CID
56933411
DTXSID
DTXSID60894826
ChEBI
CHEBI:87576
UNII
WHG7I49FAK
EC Number
817-852-1
Nikkaji
J3.803.533I