홈MCP워크벤치Skills
홈워크벤치알림마이페이지
Huagongshe 오픈 프로젝트:[email protected]AI 접속: llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.7.8
  1. 홈
  2. /화합물

펜부코나졸

Fenbuconazole

HCID 86138
노트반응
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
114369-43-6
표준 SMILES
N#CC(CCc1ccc(Cl)cc1)(Cn1cncn1)c1ccccc1
InChIKey
RQDJADAKIFFEKQ-UHFFFAOYSA-N
분자식
C19H17ClN4
평균 분자량
336.8 g/mol
단동위원소 질량
336.11417422

개요

4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile is a member of the class of triazoles that is 1-chloro-4-(3-phenylpropyl)benzene substituted at position 3 of the propyl moiety by cyano and 1,2,4-triazol-1-ylmethyl groups. It is a nitrile, a member of triazoles and a member of monochlorobenzenes.

이름 및 식별자

우선 이름
Fenbuconazole
IUPAC
4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile
현지명
펜부코나졸
영어명
FENBUCONAZOLE
분자식
C19H17ClN4
분자량
336.82

이름 및 동의어

Fenbuconazole114369-43-6DTXSID8032548P9P3C2AL0Z4-(4-Chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyronitrileRH-7592alpha-(2-(4-Chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanenitrileDTXCID60125481H-1,2,4-Triazole-1-propanenitrile, alpha-(2-(4-chlorophenyl)ethyl)-alpha-phenyl-(RS)-4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butyrontrilealpha(2-(4-chlorophenyl)ethyl)-alpha-phenyl-1H-1,2,4-triazole-1-propanentrile1H-1,2,4-Triazole-1-propanenitrile, alpha-[2-(4-chlorophenyl)ethyl]-alpha-phenyl-
이름 더 보기
펜부코나졸INDARTROIKArh7592INDAR(R)enitrileGOVERN(R)ENABLE(R)FENETHANIL
4-(4-chlorophenyl)-2-phenyl-2-(1H-1,2,4-triazol-1-ylmethyl)butanenitrileRefChem:598855CHEBI:81762406-140-2119611-00-6Fenbuconazole [ISO]4-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrileFenbuconazol

물성

구조 계산 물성

XLogP
3.2
극성 표면적
54.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
24
형식 전하
0
복잡도
434

실험 및 물리화학적 성질

Pesticides · 5건

Fungicides

Active substance -> EU Pesticides database: Not approved

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

Pesticide (Fenbuconazole) -> USDA PDB

LogP3.23
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section · 2건

183.9 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID8032548]

182.44 Ų [M+H]+ [CCS Type: TW]

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Warning

H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

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

Warning

H373 (94.3%): 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)

유해성 정보

Regulatory Information · 5건

Commission Regulation (EC) No 1490/2002

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

2010/87/EU, Reg. (EU) 2018/155, Reg. (EU) 2022/801, Reg. (EU) No 540/2011

Status: Active Update: 07-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32833

1H-1,2,4-Triazole-1-propanenitrile, .alpha.-2-(4-chlorophenyl)ethyl-.alpha.-phenyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and Categories · 5건

Aquatic Acute 1 (100%)

STOT RE 2 (94.3%)

Hazardous to the aquatic environment (acute) - category 1

Carcinogenicity - Category 2

Aquatic Acute 1

독성 정보

Toxicity Summary · 1건

Organic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)

화학 및 산업

약리 정보

Metabolism/Metabolites · 1건

Organic nitriles are converted into cyanide ions through the action of cytochrome P450 enzymes in the liver. Cyanide is rapidly absorbed and distributed throughout the body. Cyanide is mainly metabolized into thiocyanate by either rhodanese or 3-mercaptopyruvate sulfur transferase. Cyanide metabolites are excreted in the urine. (L96)

MeSH Pharmacological ClassificationSubstances that destroy fungi by suppressing their ability to grow or reproduce. They differ from FUNGICIDES, INDUSTRIAL because they defend against fungi present in human or animal tissues.

용도 및 제조

UsesThis is a man-made compound that is used as a pesticide.
Use Classification · 2건

Environmental transformation -> Pesticides (parent, predecessor)

Fungicides

공급사59 곳

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
盐城通铭生物科技有限公司15195160625 · [email protected]
江苏智芯廷科技有限公司18221391031 · [email protected]
河南赢创生物科技有限公司16650615803 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
湖南瑞威尔生物科技有限公司18627957289 18173226957 · [email protected]

관련 반응

5건
반응 기록 만들기
HRID 54907 반응식
HRID 54907반응물로uspto-grants-1997_04
HRID 1656014 반응식
HRID 1656014반응물로uspto-grants-1993_10
HRID 1708351 반응식
HRID 1708351반응물로uspto-grants-1994_10
HRID 2211091 반응식
HRID 2211091반응물로uspto-grants-1995_10
HRID 2379733 반응식
HRID 2379733반응물로uspto-grants-1994_11

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트

데이터베이스 식별자

CAS
114369-43-6、119611-00-6
PubChem CID
86138
DTXSID
DTXSID8032548
ChEMBL
CHEMBL1879687
ChEBI
CHEBI:83920
UNII
P9P3C2AL0Z
EC Number
406-140-2、601-308-3
Nikkaji
J583.573I
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
RAIS Toxicity Values · 6건

0.3

OPP

0.03

OPP

0.00359

OPP

EPA Human Health Benchmarks for Pesticides · 6건

Fenbuconazole

0.3

8000

Females 13-49 yrs

0.03

200

梯希爱(上海)化工贸易有限公司021-61109150 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
上海艾梯西生物科技有限公司18721763493 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
北京海岸鸿蒙标准物质技术有限责任公司13240431552 · [email protected]
上海毕楷科技有限公司18516304666 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
成都思天德生物科技有限公司028-83243028 19136088901 · [email protected]
南京生利德生物科技有限公司025-57798810 18652991625 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海将来实业股份有限公司021-61552785 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]
九鼎化学(上海)科技有限公司4009209199 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
安耐吉化学&3A(安徽泽升科技股份有限公司)400-0056266 · [email protected]
广州和为医药科技有限公司17612033329 17612033329 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
湖北万业众诚化学试剂有限责任公司18671296875 · [email protected]
南通市苏北化工原料有限公司0513-85290972 18762756250 · [email protected]
上海西陇生化科技有限公司021-52907766-8042
上海源叶生物科技有限公司18916372613 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
上海新平精细化学品有限公司18221735425 · [email protected]
泰安市嘉叶生物科技有限公司15318151873;13127280945 · [email protected]
山东小野化学股份有限公司0539-6362799 20)
上海百舜生物科技有限公司021-37581181 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
北京坛墨质检科技有限公司010-52889049 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
河南威梯希化工科技有限公司0371-63284658 18135795563 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Aladdin Scientific[email protected]
湖北摆渡化学有限公司027-59106051 13627137652 · [email protected]
湖北达豪化工有限公司027-59106191 13986034860 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
上海迈瑞尔生化科技有限公司18621169109 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]