Flupoxam

HCID 86353CAS 119126-15-7

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(COCC(F)(F)C(F)(F)F)c2)n1
InChIKey: AOQMRUTZEYVDIL-UHFFFAOYSA-N
분자식: C19H14ClF5N4O2
평균 분자량: 460.8 g/mol
단동위원소 질량: 460.07254447

개요

Flupoxam is a benzyl ether.

이름 및 식별자

우선 이름: Flupoxam
IUPAC: 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide
영어명: 1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide
분자식: C19H14ClF5N4O2
분자량: 460.79

이름 및 동의어

FlupoxamFlupoxam [ISO:BSI]UNII-G7Q93JFI8DG7Q93JFI8DFLUPOXAM [ISO]1-(4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamideDTXSID7057943EC 411-750-71-{4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl}-5-phenyl-1H-1,2,4-triazole-3-carboxamide1-(4-Chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl)-5-phenyl-1H-1,2,4-triazole-3-carboxamide1-[4-CHLORO-3-((2,2,3,3,3-PENTAFLUOROPROPOXY)METHYL)PHENYL]-5-PHENYL-1H-1,2,4-TRIAZOLE-3-CARBOXAMIDE1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1H-1,2,4-triazole-3-carboxamide

이름 더 보기

Flupoxam StandardFlupoxam in methanolFlupoxam 100 μg/mL in Acetonitrile1-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2 ,4-triazole-3-carboxamide1H-1,2,4-Triazole-3-carboxamide, 1-[4-chloro-3-[(2,2,3,3,3-pentafluoropropoxy)methyl]phenyl]-5-phenyl-

1H-1,2,4-Triazole-3-carboxamide, 1-(4-chloro-3-((2,2,3,3,3-pentafluoropropoxy)methyl)phenyl)-5-phenyl-RefChem:141023DTXCID5031711411-750-7119126-15-71-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamideKNW-739MON-18500

데이터베이스 식별자

CAS: 119126-15-7
PubChem CID: 86353
DTXSID: DTXSID7057943
ChEBI: CHEBI:81818
UNII: G7Q93JFI8D
EC Number: 411-750-7
Nikkaji: J667.924B

물성

구조 계산 물성

XLogP: 4.6
극성 표면적: 83 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 9
회전 가능 결합 수: 7
무거운 원자 수: 31
형식 전하: 0
복잡도: 621

실험 및 물리화학적 성질

PFAS · 3건

PFAS -> Other/unspecified

PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008

PFAS -> Other/unspecified

Pesticides · 2건

Herbicides

Active substance -> EU Pesticides database: Not approved

LogP3.27

Melting Point144 - 148 °C

Physical DescriptionSolid

물리화학적 성질

녹는점: 151 ℃ · approximate 151℃
끓는 점: 555.7 · 555.7±60.0 °C(Predicted)
밀도: 1.49 · 1.49±0.1 g/cm3(Predicted)
산도 계수 (pKa): 14.35 · 14.35±0.50(Predicted)
Henry's Law Constant: 1.1 · 1.1×102 mol/(m3Pa) at 25℃, Duchowicz et al. (2020)
EPA: Flupoxam (119126-15-7)

안전 및 규제

GHS 분류

GHS Classification · 4건

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: 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)

유해성 정보

Regulatory Information · 2건

2002/2076

Status: No longer Valid Update: 15-12-2008 https://echa.europa.eu/registration-dossier/-/registered-dossier/2481

Hazard Classes and Categories · 2건

Hazardous to the aquatic environment (chronic) - category 2

Aquatic Chronic 2

안전 데이터

risk_code: 51/53
hazard_code: N
safety_code: 61

화학 및 산업

약리 정보

Cellular LocationsMembrane

응용 분야

용도Flupoxam is a pesticide residue in food and vegetables. It also functions as a herbicide for agricultural purposes.

공급사4 곳

上海泰坦科技股份有限公司18616708014 · [email protected]

XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]

上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]

上海杰股生物科技有限公司021-51698675 · [email protected]

연결된 노트

불러오는 중…